 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer01_STD_B3LYPDBJ_augccpVDZ.in
 Output=31_naproxen_conformer01_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-207865.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    207866.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer01_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:57:07 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer01_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.701650000000      0.861049000000     -0.150441000000
  C                                                -1.142583000000     -0.492061000000     -0.146036000000
  C                                                 0.680291000000      1.135563000000     -0.261208000000
  C                                                 1.611358000000      0.129451000000     -0.370251000000
  C                                                 1.162418000000     -1.214398000000     -0.360965000000
  C                                                -0.168407000000     -1.514023000000     -0.252411000000
  C                                                -1.673067000000      1.886980000000     -0.044418000000
  H                                                 1.002631000000      2.171223000000     -0.269064000000
  H                                                 1.887775000000     -2.015222000000     -0.432725000000
  H                                                -0.492297000000     -2.547618000000     -0.243597000000
  C                                                 3.089483000000      0.433563000000     -0.483088000000
  C                                                 3.712284000000     -0.066300000000     -1.786151000000
  C                                                 3.873459000000     -0.077627000000      0.733351000000
  H                                                 3.203190000000      1.522932000000     -0.441764000000
  H                                                 4.768168000000      0.193895000000     -1.827559000000
  H                                                 3.198059000000      0.378934000000     -2.637902000000
  H                                                 3.635566000000     -1.150409000000     -1.866576000000
  O                                                 4.972607000000     -0.550358000000      0.679433000000
  O                                                 3.255984000000      0.083411000000      1.926913000000
  H                                                 2.348270000000      0.392671000000      1.784838000000
  C                                                -3.000863000000      1.591354000000      0.061295000000
  C                                                -3.436799000000      0.243260000000      0.067154000000
  C                                                -2.523995000000     -0.780170000000     -0.034789000000
  O                                                -4.779617000000      0.081304000000      0.178247000000
  C                                                -5.294817000000     -1.239834000000      0.194020000000
  H                                                -1.347302000000      2.919928000000     -0.048267000000
  H                                                -3.748933000000      2.368268000000      0.142782000000
  H                                                -2.835427000000     -1.814402000000     -0.032567000000
  H                                                -5.057543000000     -1.768200000000     -0.733736000000
  H                                                -6.373003000000     -1.140865000000      0.289516000000
  H                                                -4.903616000000     -1.806841000000      1.043513000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 19:57:07 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.701650    0.861049   -0.150441
      2          6           0       -1.142583   -0.492061   -0.146036
      3          6           0        0.680291    1.135563   -0.261208
      4          6           0        1.611358    0.129451   -0.370251
      5          6           0        1.162418   -1.214398   -0.360965
      6          6           0       -0.168407   -1.514023   -0.252411
      7          6           0       -1.673067    1.886980   -0.044418
      8          1           0        1.002631    2.171223   -0.269064
      9          1           0        1.887775   -2.015222   -0.432725
     10          1           0       -0.492297   -2.547618   -0.243597
     11          6           0        3.089483    0.433563   -0.483088
     12          6           0        3.712284   -0.066300   -1.786151
     13          6           0        3.873459   -0.077627    0.733351
     14          1           0        3.203190    1.522932   -0.441764
     15          1           0        4.768168    0.193895   -1.827559
     16          1           0        3.198059    0.378934   -2.637902
     17          1           0        3.635566   -1.150409   -1.866576
     18          8           0        4.972607   -0.550358    0.679433
     19          8           0        3.255984    0.083411    1.926913
     20          1           0        2.348270    0.392671    1.784838
     21          6           0       -3.000863    1.591354    0.061295
     22          6           0       -3.436799    0.243260    0.067154
     23          6           0       -2.523995   -0.780170   -0.034789
     24          8           0       -4.779617    0.081304    0.178247
     25          6           0       -5.294817   -1.239834    0.194020
     26          1           0       -1.347302    2.919928   -0.048267
     27          1           0       -3.748933    2.368268    0.142782
     28          1           0       -2.835427   -1.814402   -0.032567
     29          1           0       -5.057543   -1.768200   -0.733736
     30          1           0       -6.373003   -1.140865    0.289516
     31          1           0       -4.903616   -1.806841    1.043513
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.423147   0.000000
     3  C    1.413290   2.446486   0.000000
     4  C    2.435890   2.832091   1.375150   0.000000
     5  C    2.797597   2.425076   2.400982   1.416885   0.000000
     6  C    2.436332   1.415889   2.782206   2.425378   1.368450
     7  C    1.416837   2.439585   2.479903   3.739321   4.214110
     8  H    2.152952   3.422011   1.084692   2.132984   3.390635
     9  H    3.880431   3.403716   3.378592   2.163315   1.082872
    10  H    3.416360   2.158172   3.865371   3.407067   2.128223
    11  C    3.829633   4.345200   2.519175   1.513298   2.538556
    12  C    4.797743   5.142080   3.600404   2.541059   3.138646
    13  C    4.753296   5.109379   3.557710   2.525454   3.136801
    14  H    3.971238   4.799312   2.558842   2.116798   3.415297
    15  H    5.759924   6.183448   4.477827   3.477549   4.139519
    16  H    4.650551   5.080276   3.544054   2.778867   3.444849
    17  H    5.079619   5.120975   4.066513   2.823907   2.896104
    18  O    5.905756   6.170928   4.706497   3.586359   4.005111
    19  O    4.536848   4.896496   3.539646   2.825575   3.361802
    20  H    3.642347   4.086206   2.742325   2.292757   2.931448
    21  C    2.421685   2.799430   3.723258   4.857569   5.038200
    22  C    2.812481   2.418589   4.225453   5.068349   4.843640
    23  C    2.455182   1.415515   3.740153   4.247480   3.726203
    24  O    4.164835   3.696204   5.578098   6.414650   6.105520
    25  C    5.062563   4.232712   6.446058   7.063186   6.481091
    26  H    2.160159   3.419523   2.709324   4.079719   4.846558
    27  H    3.412275   3.880458   4.615278   5.831657   6.100051
    28  H    3.424169   2.151089   4.595089   4.864822   4.055936
    29  H    5.121229   4.159427   6.448090   6.943158   6.255683
    30  H    6.030379   5.288473   7.431983   8.111659   7.563802
    31  H    5.118562   4.158009   6.445158   6.942106   6.254624
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.724793   0.000000
     8  H    3.866865   2.700115   0.000000
     9  H    2.124052   5.296939   4.282124   0.000000
    10  H    1.083190   4.593425   4.950042   2.446213   0.000000
    11  C    3.802650   4.998673   2.724008   2.728220   4.666256
    12  C    4.416789   5.987566   3.827569   2.993141   5.120050
    13  C    4.401323   5.935365   3.782039   3.009476   5.110294
    14  H    4.541654   4.905945   2.300558   3.774776   5.501388
    15  H    5.455992   6.894609   4.529680   3.888756   6.139814
    16  H    4.539488   5.720859   3.693724   3.508794   5.283572
    17  H    4.148247   6.381816   4.529639   2.420455   4.650323
    18  O    5.312910   7.115445   4.905849   3.591505   5.891197
    19  O    4.362075   5.606652   3.776092   3.441533   5.067843
    20  H    3.757596   4.663720   3.031914   3.305691   4.563844
    21  C    4.214805   1.364409   4.058737   6.095099   4.849428
    22  C    3.724587   2.413507   4.851662   5.805317   4.068864
    23  C    2.476832   2.799618   4.604639   4.598633   2.700976
    24  O    4.898346   3.600097   6.164596   7.015898   5.046810
    25  C    5.153112   4.790709   7.176880   7.251459   4.996599
    26  H    4.592536   1.083106   2.476186   5.913479   5.537440
    27  H    5.296086   2.139136   4.773448   7.163705   5.909391
    28  H    2.692871   3.879620   5.538215   4.744375   2.464224
    29  H    4.919342   5.028934   7.242975   6.956225   4.657166
    30  H    6.239386   5.600782   8.104438   8.338260   6.070080
    31  H    4.918065   5.026366   7.240967   6.953107   4.654582
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.528305   0.000000
    13  C    1.534815   2.524677   0.000000
    14  H    1.096067   2.142945   2.095697   0.000000
    15  H    2.164030   1.088259   2.726259   2.477080   0.000000
    16  H    2.158239   1.090019   3.468423   2.476243   1.776552
    17  H    2.172835   1.089792   2.822601   3.060031   1.758256
    18  O    2.421923   2.811020   1.197710   2.947279   2.623112
    19  O    2.440990   3.743991   1.353440   2.772298   4.049070
    20  H    2.386327   3.850085   1.911284   2.639344   4.352566
    21  C    6.223275   7.157319   7.105875   6.224791   8.116557
    22  C    6.552201   7.391884   7.347561   6.781299   8.421037
    23  C    5.760664   6.516752   6.481591   6.186320   7.572217
    24  O    7.904694   8.717398   8.672319   8.135595   9.756851
    25  C    8.576434   9.296565   9.257369   8.958416  10.363688
    26  H    5.104522   6.126762   6.070635   4.776339   6.927922
    27  H    7.134335   8.081934   8.026957   7.027681   9.008393
    28  H    6.353021   7.000245   6.972243   6.911594   8.066592
    29  H    8.443022   8.995216   9.207235   8.896994  10.079229
    30  H    9.623637  10.352589  10.311035   9.966647  11.418813
    31  H    8.440353   9.234187   8.951169   8.888967  10.285398
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.767837   0.000000
    18  O    3.875218   2.937669   0.000000
    19  O    4.574738   4.007113   2.214648   0.000000
    20  H    4.503661   4.167859   2.999728   0.969418   0.000000
    21  C    6.868934   7.434793   8.279206   6.700937   5.746361
    22  C    7.166385   7.463241   8.468933   6.948208   6.036538
    23  C    6.392310   6.436825   7.534054   6.164593   5.331563
    24  O    8.465376   8.747212   9.785502   8.223668   7.313334
    25  C    9.097754   9.165467  10.301990   8.824403   7.975748
    26  H    5.815769   6.686020   7.246632   5.756510   4.837825
    27  H    7.742761   8.423149   9.212580   7.581066   6.616284
    28  H    6.928308   6.758567   7.941671   6.674320   5.919869
    29  H    8.740194   8.788352  10.202161   8.923130   8.115334
    30  H   10.123477  10.238177  11.367656   9.843643   8.980441
    31  H    9.163382   9.045283   9.962484   8.422145   7.614280
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.416839   0.000000
    23  C    2.420901   1.375141   0.000000
    24  O    2.336214   1.357104   2.423913   0.000000
    25  C    3.646295   2.380734   2.817996   1.418127   0.000000
    26  H    2.124000   3.397627   3.882720   4.459807   5.739791
    27  H    1.081593   2.149141   3.382997   2.508739   3.925657
    28  H    3.411063   2.146058   1.080107   2.723604   2.535758
    29  H    4.018533   2.704479   2.807774   2.080774   1.093710
    30  H    4.346083   3.253696   3.879451   2.011208   1.086922
    31  H    4.016584   2.703284   2.807024   2.080662   1.093697
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.471570   0.000000
    28  H    4.962725   4.284853   0.000000
    29  H    6.017832   4.426185   2.330573   0.000000
    30  H    6.470070   4.384209   3.615499   1.780738   0.000000
    31  H    6.015122   4.424494   2.331397   1.784321   1.780768
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.22D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.701650    0.861049   -0.150441
      2          6           0       -1.142583   -0.492061   -0.146036
      3          6           0        0.680291    1.135563   -0.261208
      4          6           0        1.611358    0.129451   -0.370251
      5          6           0        1.162418   -1.214398   -0.360965
      6          6           0       -0.168407   -1.514023   -0.252411
      7          6           0       -1.673067    1.886980   -0.044418
      8          1           0        1.002631    2.171223   -0.269064
      9          1           0        1.887775   -2.015222   -0.432725
     10          1           0       -0.492297   -2.547618   -0.243597
     11          6           0        3.089483    0.433563   -0.483088
     12          6           0        3.712284   -0.066300   -1.786151
     13          6           0        3.873459   -0.077627    0.733351
     14          1           0        3.203190    1.522932   -0.441764
     15          1           0        4.768168    0.193895   -1.827559
     16          1           0        3.198059    0.378934   -2.637902
     17          1           0        3.635566   -1.150409   -1.866576
     18          8           0        4.972607   -0.550358    0.679433
     19          8           0        3.255984    0.083411    1.926913
     20          1           0        2.348270    0.392671    1.784838
     21          6           0       -3.000863    1.591354    0.061295
     22          6           0       -3.436799    0.243260    0.067154
     23          6           0       -2.523995   -0.780170   -0.034789
     24          8           0       -4.779617    0.081304    0.178247
     25          6           0       -5.294817   -1.239834    0.194020
     26          1           0       -1.347302    2.919928   -0.048267
     27          1           0       -3.748933    2.368268    0.142782
     28          1           0       -2.835427   -1.814402   -0.032567
     29          1           0       -5.057543   -1.768200   -0.733736
     30          1           0       -6.373003   -1.140865    0.289516
     31          1           0       -4.903616   -1.806841    1.043513
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3888905           0.2034593           0.1967639
 Leave Link  202 at Thu Aug 12 19:57:07 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1134.2190356318 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0643974872 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1134.1546381446 Hartrees.
 Leave Link  301 at Thu Aug 12 19:57:09 2021, MaxMem=  5368709120 cpu:               9.7 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.41D-06  NBF=   517
 NBsUse=   513 1.00D-06 EigRej=  9.55D-07 NBFU=   513
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 19:57:09 2021, MaxMem=  5368709120 cpu:               4.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:57:10 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer01_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:57:10 2021, MaxMem=  5368709120 cpu:               5.8 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368092331 LenY=  5367788179
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 960000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.763740189760    
 DIIS: error= 1.58D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.763740189760     IErMin= 1 ErrMin= 1.58D-03
 ErrMax= 1.58D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.62D-03 BMatP= 7.62D-03
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.58D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.170 Goal=   None    Shift=    0.000
 GapD=    0.170 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.13D-02 MaxDP=1.04D+01              OVMax= 1.37D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.12D-02    CP:  1.94D+00
 E= -767.769916165908     Delta-E=       -0.006175976147 Rises=F Damp=F
 DIIS: error= 3.24D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.769916165908     IErMin= 2 ErrMin= 3.24D-04
 ErrMax= 3.24D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.24D-04 BMatP= 7.62D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.24D-03
 Coeff-Com:  0.286D-01 0.971D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.285D-01 0.971D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=3.10D-03 MaxDP=3.68D-01 DE=-6.18D-03 OVMax= 4.94D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.11D-04    CP:  1.96D+00  1.04D+00
 E= -767.769645011013     Delta-E=        0.000271154894 Rises=F Damp=F
 DIIS: error= 5.21D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -767.769916165908     IErMin= 2 ErrMin= 3.24D-04
 ErrMax= 5.21D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.95D-04 BMatP= 2.24D-04
 IDIUse=3 WtCom= 3.05D-01 WtEn= 6.95D-01
 Coeff-Com: -0.905D-02 0.627D+00 0.382D+00
 Coeff-En:   0.000D+00 0.689D+00 0.311D+00
 Coeff:     -0.276D-02 0.670D+00 0.332D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=2.05D-04 MaxDP=1.42D-02 DE= 2.71D-04 OVMax= 3.49D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.40D-04    CP:  1.97D+00  1.04D+00  9.29D-01
 E= -767.770085278432     Delta-E=       -0.000440267419 Rises=F Damp=F
 DIIS: error= 6.56D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.770085278432     IErMin= 4 ErrMin= 6.56D-05
 ErrMax= 6.56D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.79D-06 BMatP= 2.24D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.592D-02 0.300D+00 0.136D+00 0.570D+00
 Coeff:     -0.592D-02 0.300D+00 0.136D+00 0.570D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=9.76D-05 MaxDP=8.27D-03 DE=-4.40D-04 OVMax= 7.78D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.42D-05    CP:  1.97D+00  1.04D+00  9.12D-01  1.17D+00
 E= -767.770091522589     Delta-E=       -0.000006244157 Rises=F Damp=F
 DIIS: error= 2.65D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.770091522589     IErMin= 5 ErrMin= 2.65D-05
 ErrMax= 2.65D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-06 BMatP= 8.79D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.213D-02 0.679D-01 0.153D-01 0.369D+00 0.550D+00
 Coeff:     -0.213D-02 0.679D-01 0.153D-01 0.369D+00 0.550D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=2.90D-05 MaxDP=2.84D-03 DE=-6.24D-06 OVMax= 4.04D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.62D-05    CP:  1.97D+00  1.04D+00  9.12D-01  1.22D+00  9.68D-01
 E= -767.770092891092     Delta-E=       -0.000001368503 Rises=F Damp=F
 DIIS: error= 5.91D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.770092891092     IErMin= 6 ErrMin= 5.91D-06
 ErrMax= 5.91D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-07 BMatP= 1.74D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.631D-03 0.109D-01-0.311D-02 0.160D+00 0.315D+00 0.518D+00
 Coeff:     -0.631D-03 0.109D-01-0.311D-02 0.160D+00 0.315D+00 0.518D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=6.49D-06 MaxDP=5.22D-04 DE=-1.37D-06 OVMax= 9.64D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.80D-06    CP:  1.97D+00  1.04D+00  9.16D-01  1.21D+00  9.34D-01
                    CP:  9.59D-01
 E= -767.770093020655     Delta-E=       -0.000000129563 Rises=F Damp=F
 DIIS: error= 1.76D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.770093020655     IErMin= 7 ErrMin= 1.76D-06
 ErrMax= 1.76D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.33D-09 BMatP= 1.45D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.110D-03-0.821D-03-0.268D-02 0.465D-01 0.104D+00 0.251D+00
 Coeff-Com:  0.602D+00
 Coeff:     -0.110D-03-0.821D-03-0.268D-02 0.465D-01 0.104D+00 0.251D+00
 Coeff:      0.602D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=2.08D-06 MaxDP=1.44D-04 DE=-1.30D-07 OVMax= 4.20D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.34D-06    CP:  1.97D+00  1.04D+00  9.17D-01  1.21D+00  9.41D-01
                    CP:  9.25D-01  8.52D-01
 E= -767.770093025959     Delta-E=       -0.000000005305 Rises=F Damp=F
 DIIS: error= 1.04D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.770093025959     IErMin= 8 ErrMin= 1.04D-06
 ErrMax= 1.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.34D-09 BMatP= 8.33D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.431D-05-0.162D-02-0.122D-02 0.111D-01 0.291D-01 0.995D-01
 Coeff-Com:  0.391D+00 0.473D+00
 Coeff:     -0.431D-05-0.162D-02-0.122D-02 0.111D-01 0.291D-01 0.995D-01
 Coeff:      0.391D+00 0.473D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=7.04D-07 MaxDP=4.74D-05 DE=-5.30D-09 OVMax= 2.00D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.15D-07    CP:  1.97D+00  1.04D+00  9.18D-01  1.21D+00  9.38D-01
                    CP:  9.28D-01  8.42D-01  8.85D-01
 E= -767.770093028099     Delta-E=       -0.000000002140 Rises=F Damp=F
 DIIS: error= 2.81D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.770093028099     IErMin= 9 ErrMin= 2.81D-07
 ErrMax= 2.81D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-10 BMatP= 2.34D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.637D-05-0.709D-03-0.344D-03 0.158D-02 0.553D-02 0.282D-01
 Coeff-Com:  0.141D+00 0.242D+00 0.583D+00
 Coeff:      0.637D-05-0.709D-03-0.344D-03 0.158D-02 0.553D-02 0.282D-01
 Coeff:      0.141D+00 0.242D+00 0.583D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=2.64D-07 MaxDP=2.54D-05 DE=-2.14D-09 OVMax= 4.78D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.98D-07    CP:  1.97D+00  1.04D+00  9.18D-01  1.21D+00  9.38D-01
                    CP:  9.28D-01  8.54D-01  8.64D-01  8.76D-01
 E= -767.770093028132     Delta-E=       -0.000000000033 Rises=F Damp=F
 DIIS: error= 8.93D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.770093028132     IErMin=10 ErrMin= 8.93D-08
 ErrMax= 8.93D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.73D-11 BMatP= 1.09D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.474D-05-0.238D-03-0.581D-04-0.348D-03-0.426D-04 0.556D-02
 Coeff-Com:  0.384D-01 0.882D-01 0.338D+00 0.530D+00
 Coeff:      0.474D-05-0.238D-03-0.581D-04-0.348D-03-0.426D-04 0.556D-02
 Coeff:      0.384D-01 0.882D-01 0.338D+00 0.530D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=1.07D-07 MaxDP=9.75D-06 DE=-3.25D-11 OVMax= 1.48D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.39D-08    CP:  1.97D+00  1.04D+00  9.18D-01  1.21D+00  9.38D-01
                    CP:  9.29D-01  8.50D-01  8.74D-01  9.15D-01  8.48D-01
 E= -767.770093028444     Delta-E=       -0.000000000312 Rises=F Damp=F
 DIIS: error= 1.85D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -767.770093028444     IErMin=11 ErrMin= 1.85D-08
 ErrMax= 1.85D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.74D-13 BMatP= 1.73D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.181D-05-0.698D-04-0.520D-05-0.247D-03-0.313D-03 0.102D-02
 Coeff-Com:  0.938D-02 0.268D-01 0.116D+00 0.240D+00 0.607D+00
 Coeff:      0.181D-05-0.698D-04-0.520D-05-0.247D-03-0.313D-03 0.102D-02
 Coeff:      0.938D-02 0.268D-01 0.116D+00 0.240D+00 0.607D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=2.19D-08 MaxDP=1.45D-06 DE=-3.12D-10 OVMax= 3.08D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.57D-08    CP:  1.97D+00  1.04D+00  9.18D-01  1.21D+00  9.38D-01
                    CP:  9.29D-01  8.51D-01  8.77D-01  9.15D-01  8.71D-01
                    CP:  8.99D-01
 E= -767.770093028278     Delta-E=        0.000000000166 Rises=F Damp=F
 DIIS: error= 6.32D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -767.770093028444     IErMin=12 ErrMin= 6.32D-09
 ErrMax= 6.32D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-13 BMatP= 6.74D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.319D-06-0.457D-05 0.676D-05-0.988D-04-0.193D-03-0.276D-03
 Coeff-Com: -0.465D-03 0.259D-02 0.173D-01 0.616D-01 0.345D+00 0.574D+00
 Coeff:      0.319D-06-0.457D-05 0.676D-05-0.988D-04-0.193D-03-0.276D-03
 Coeff:     -0.465D-03 0.259D-02 0.173D-01 0.616D-01 0.345D+00 0.574D+00
 Gap=     0.170 Goal=   None    Shift=    0.000
 RMSDP=7.50D-09 MaxDP=4.09D-07 DE= 1.66D-10 OVMax= 1.94D-07

 SCF Done:  E(RB3LYP) =  -767.770093028     A.U. after   12 cycles
            NFock= 12  Conv=0.75D-08     -V/T= 2.0057
 KE= 7.634218503257D+02 PE=-4.056273806564D+03 EE= 1.390927225066D+03
 Leave Link  502 at Thu Aug 12 20:03:58 2021, MaxMem=  5368709120 cpu:            3251.2 elap:             407.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   513
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    513 NOA=    61 NOB=    61 NVA=   452 NVB=   452

 **** Warning!!: The largest alpha MO coefficient is  0.99609252D+02

 Leave Link  801 at Thu Aug 12 20:03:58 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.60D-13 8.33D-09 XBig12= 1.00D+00 6.12D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.60D-13 8.33D-09 XBig12= 5.07D-01 1.92D-01.
     11 vectors produced by pass  2 Test12= 4.60D-13 8.33D-09 XBig12= 1.00D-01 9.80D-02.
     11 vectors produced by pass  3 Test12= 4.60D-13 8.33D-09 XBig12= 1.77D-02 3.08D-02.
     11 vectors produced by pass  4 Test12= 4.60D-13 8.33D-09 XBig12= 5.98D-03 2.65D-02.
     11 vectors produced by pass  5 Test12= 4.60D-13 8.33D-09 XBig12= 4.66D-04 5.05D-03.
     11 vectors produced by pass  6 Test12= 4.60D-13 8.33D-09 XBig12= 1.79D-05 5.94D-04.
     11 vectors produced by pass  7 Test12= 4.60D-13 8.33D-09 XBig12= 7.69D-07 1.11D-04.
     11 vectors produced by pass  8 Test12= 4.60D-13 8.33D-09 XBig12= 2.26D-08 1.95D-05.
     11 vectors produced by pass  9 Test12= 4.60D-13 8.33D-09 XBig12= 6.04D-10 3.37D-06.
     11 vectors produced by pass 10 Test12= 4.60D-13 8.33D-09 XBig12= 1.10D-11 4.30D-07.
      7 vectors produced by pass 11 Test12= 4.60D-13 8.33D-09 XBig12= 2.95D-13 4.93D-08.
      2 vectors produced by pass 12 Test12= 4.60D-13 8.33D-09 XBig12= 1.80D-13 2.50D-08.
      1 vectors produced by pass 13 Test12= 4.60D-13 8.33D-09 XBig12= 1.23D-13 2.76D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   131 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.315809D+03
      2 -0.953025D+01  0.177030D+03
      3 -0.137085D+02  0.220183D+01  0.123480D+03
 Isotropic polarizability for W=    0.088559      205.44 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.294905D+03 -0.927964D+02  0.448346D+02
      2   0.910164D+02  0.724512D+02  0.519808D+01
      3   0.203889D+03  0.203452D+02 -0.500327D+02
      4  -0.881907D+02 -0.181907D+03 -0.100648D+01
      5  -0.332473D+02 -0.266611D+01  0.779182D+02
      6  -0.347476D+01 -0.467651D+02 -0.135509D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.347883D+01 -0.257509D+02  0.310276D+01
      2   0.495244D+02  0.583449D+00  0.324385D+02
      3   0.873780D+02  0.726817D+02 -0.308206D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.165964D+01 -0.519632D+02  0.338961D+02
      2   0.780819D+02  0.246829D+01 -0.125971D+03
      3   0.460576D+01  0.272923D+03 -0.808649D+00
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.166421D+01 -0.267853D+01 -0.178075D+02
      2  -0.267853D+01 -0.266337D+01 -0.791104D+01
      3  -0.178075D+02 -0.791104D+01 -0.164985D+01
 OR G Eigenvalues:   -22.3626    -0.5251    16.9102  Iso=     1.9925
 Eigenvectors:
   (1)   0.634656   0.360753   0.683424
   (2)  -0.397565   0.910766  -0.111563
   (3)  -0.662686  -0.200902   0.721447
 w=    0.088559 a.u., Optical Rotation Beta=      1.9925 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      438.78 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 4.10D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.21D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.66D-14 2.78D-09 XBig12= 1.00D+00 4.49D-01.
     30 vectors produced by pass  1 Test12= 7.66D-14 2.78D-09 XBig12= 9.22D-02 1.15D-01.
     30 vectors produced by pass  2 Test12= 7.66D-14 2.78D-09 XBig12= 3.14D-03 1.89D-02.
     30 vectors produced by pass  3 Test12= 7.66D-14 2.78D-09 XBig12= 1.38D-04 1.43D-03.
     30 vectors produced by pass  4 Test12= 7.66D-14 2.78D-09 XBig12= 3.03D-06 2.18D-04.
     30 vectors produced by pass  5 Test12= 7.66D-14 2.78D-09 XBig12= 3.77D-08 2.25D-05.
     30 vectors produced by pass  6 Test12= 7.66D-14 2.78D-09 XBig12= 3.69D-10 1.77D-06.
     30 vectors produced by pass  7 Test12= 7.66D-14 2.78D-09 XBig12= 1.61D-12 1.02D-07.
     10 vectors produced by pass  8 Test12= 7.66D-14 2.78D-09 XBig12= 4.49D-14 1.89D-08.
      6 vectors produced by pass  9 Test12= 7.66D-14 2.78D-09 XBig12= 1.32D-14 8.72D-09.
      2 vectors produced by pass 10 Test12= 7.66D-14 2.78D-09 XBig12= 3.00D-15 3.27D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   258 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.12D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.12D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.36D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.315809D+03 -0.953025D+01 -0.137085D+02
      2  -0.953025D+01  0.177030D+03  0.220183D+01
      3  -0.137085D+02  0.220183D+01  0.123480D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.347883D+01 -0.257509D+02  0.310276D+01
      2   0.495244D+02  0.583449D+00  0.324385D+02
      3   0.873780D+02  0.726817D+02 -0.308206D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.294905D+03 -0.927964D+02  0.448346D+02
      2   0.910164D+02  0.724512D+02  0.519808D+01
      3   0.203889D+03  0.203452D+02 -0.500327D+02
      4  -0.881907D+02 -0.181907D+03 -0.100648D+01
      5  -0.332473D+02 -0.266611D+01  0.779182D+02
      6  -0.347476D+01 -0.467651D+02 -0.135509D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.353959D+02 -0.177205D+01 -0.202747D+01  0.469098D+02 -0.756453D+01
      2  -0.177205D+01 -0.208315D+00  0.293336D+00 -0.756453D+01  0.852334D+01
      3  -0.202747D+01  0.293336D+00 -0.136295D+00 -0.359251D+01  0.756353D+00
                 6             7             8             9            10 
      1  -0.359251D+01 -0.133127D+01 -0.765072D-01  0.125721D+01 -0.389288D+02
      2   0.756353D+00 -0.765072D-01  0.123521D+00  0.134016D+01  0.316230D+01
      3  -0.487052D+00  0.125721D+01  0.134016D+01 -0.359787D-01  0.231884D+01
                11            12            13            14            15 
      1   0.316230D+01  0.231884D+01 -0.466836D+02  0.669604D+01  0.366109D+01
      2  -0.400902D+01 -0.249219D+00  0.669604D+01 -0.694208D+01 -0.788597D+00
      3  -0.249219D+00  0.287784D+00  0.366109D+01 -0.788597D+00  0.528806D+00
                16            17            18            19            20 
      1   0.223592D+01 -0.204232D+00 -0.111658D+01 -0.481394D+02  0.500005D+01
      2  -0.204232D+00  0.282404D+00 -0.118671D+01  0.500005D+01 -0.434387D+01
      3  -0.111658D+01 -0.118671D+01 -0.741644D-01  0.215106D+01 -0.238121D+00
                21            22            23            24            25 
      1   0.215106D+01  0.231053D+02 -0.243241D+01 -0.319659D+00  0.505873D+01
      2  -0.238121D+00 -0.243241D+01  0.316669D+01  0.269922D+00  0.115890D+00
      3  -0.594594D+00 -0.319659D+00  0.269922D+00  0.267426D+01  0.180097D+01
                26            27            28            29            30 
      1   0.115890D+00  0.180097D+01  0.564501D+02 -0.320880D+01 -0.158868D+01
      2   0.226004D+00  0.373640D+01 -0.320880D+01  0.417945D+01  0.221108D+00
      3   0.373640D+01 -0.772519D-01 -0.158868D+01  0.221108D+00  0.262857D+01
                31            32            33            34            35 
      1  -0.589628D+01  0.127376D+01  0.159066D+00 -0.152687D+01  0.264261D+00
      2   0.127376D+01 -0.728135D+01 -0.601108D+00  0.264261D+00 -0.988579D+00
      3   0.159066D+00 -0.601108D+00 -0.720470D+00  0.676700D+01 -0.568761D+00
                36            37            38            39            40 
      1   0.676700D+01  0.676143D+01 -0.916747D+00 -0.318324D+00 -0.124162D+02
      2  -0.568761D+00 -0.916747D+00  0.938426D+01  0.406237D+00  0.124425D+01
      3  -0.928801D+00 -0.318324D+00  0.406237D+00  0.226312D+01  0.121253D+00
                41            42            43            44            45 
      1   0.124425D+01  0.121253D+00 -0.123685D+01 -0.166839D+00  0.423992D+01
      2   0.316562D+01  0.134939D+00 -0.166839D+00 -0.720330D+00 -0.254746D+01
      3   0.134939D+00 -0.120629D+01  0.423992D+01 -0.254746D+01 -0.132336D+01
                46            47            48            49            50 
      1  -0.914497D+01  0.161845D+01  0.105174D+01 -0.281899D+01  0.203326D+01
      2   0.161845D+01 -0.608794D+01 -0.100261D+01  0.203326D+01 -0.484183D+00
      3   0.105174D+01 -0.100261D+01 -0.189209D+01  0.168570D+00 -0.621353D-01
                51            52            53            54            55 
      1   0.168570D+00  0.564952D+00 -0.513642D+00 -0.908518D+00  0.128209D+02
      2  -0.621353D-01 -0.513642D+00  0.704297D+00 -0.409554D+01 -0.478488D+01
      3  -0.172408D+01 -0.908518D+00 -0.409554D+01 -0.140170D+00 -0.100880D+01
                56            57            58            59            60 
      1  -0.478488D+01 -0.100880D+01  0.894345D+00 -0.168031D+01  0.123190D+00
      2   0.105344D+02  0.781518D+00 -0.168031D+01  0.167460D+00 -0.167281D-01
      3   0.781518D+00  0.223818D+01  0.123190D+00 -0.167281D-01  0.193002D+01
                61            62            63            64            65 
      1  -0.113592D+01  0.706335D+00  0.737904D+00  0.103808D+01  0.223369D+01
      2   0.706335D+00 -0.114499D+01  0.417758D+01  0.223369D+01  0.162428D+01
      3   0.737904D+00  0.417758D+01 -0.278348D+00 -0.931228D-01 -0.167749D+00
                66            67            68            69            70 
      1  -0.931228D-01  0.243266D+01  0.320050D+01 -0.158400D+00 -0.314778D+00
      2  -0.167749D+00  0.320050D+01  0.775524D+01 -0.266629D+00 -0.143044D+00
      3   0.139700D+00 -0.158400D+00 -0.266629D+00  0.689021D+00 -0.159286D+00
                71            72            73            74            75 
      1  -0.143044D+00 -0.159286D+00  0.613627D+01 -0.308313D+01 -0.649375D+00
      2  -0.527589D-01  0.148421D+00 -0.308313D+01  0.269955D+01  0.278473D+00
      3   0.148421D+00 -0.509781D-01 -0.649375D+00  0.278473D+00  0.468721D+00
                76            77            78            79            80 
      1  -0.412675D+01  0.426288D+01  0.466128D+00 -0.820884D+00  0.266024D+00
      2   0.426288D+01 -0.505496D+01 -0.464875D+00  0.266024D+00 -0.240933D+00
      3   0.466128D+00 -0.464875D+00 -0.644999D+00 -0.346982D+00 -0.238620D+00
                81            82            83            84            85 
      1  -0.346982D+00 -0.837424D+00 -0.154483D+01  0.244522D-01 -0.713015D+00
      2  -0.238620D+00 -0.154483D+01 -0.220433D+01  0.567455D-01 -0.142946D+01
      3   0.122106D-01  0.244522D-01  0.567455D-01 -0.118243D+00 -0.698948D-01
                86            87            88            89            90 
      1  -0.142946D+01 -0.698948D-01  0.159007D+00  0.123198D+00  0.406488D-01
      2  -0.103207D+02 -0.162533D+00  0.123198D+00 -0.147663D-01 -0.157514D+00
      3  -0.162533D+00 -0.769159D+00  0.406488D-01 -0.157514D+00 -0.248222D-02
                91            92            93            94            95 
      1  -0.216318D+02  0.218660D+01  0.170583D+00  0.269770D+01 -0.709759D+00
      2   0.218660D+01 -0.369274D+00 -0.724276D-01 -0.709759D+00 -0.510568D+01
      3   0.170583D+00 -0.724276D-01 -0.377218D+01 -0.129961D+01 -0.688772D-01
                96            97            98            99           100 
      1  -0.129961D+01 -0.117582D+01 -0.319374D+00 -0.878472D+01 -0.791091D+01
      2  -0.688772D-01 -0.319374D+00 -0.400527D+00  0.138457D+01 -0.235832D+01
      3   0.151179D+01 -0.878472D+01  0.138457D+01  0.102924D+00  0.169971D+01
               101           102           103           104           105 
      1  -0.235832D+01  0.169971D+01 -0.729427D+01  0.661891D+00  0.110075D+01
      2   0.240088D+00 -0.277180D+00  0.661891D+00  0.453416D+01  0.131667D+01
      3  -0.277180D+00  0.361848D+01  0.110075D+01  0.131667D+01 -0.302011D+01
               106           107           108           109           110 
      1  -0.579098D+01  0.582399D+00  0.608218D+01 -0.755939D+01  0.266691D+01
      2   0.582399D+00  0.476864D+00 -0.230304D+01  0.266691D+01 -0.686472D+00
      3   0.608218D+01 -0.230304D+01 -0.526890D+00 -0.502666D+00  0.440353D+00
               111           112           113           114           115 
      1  -0.502666D+00  0.231375D+01 -0.450029D+00  0.976510D+00  0.114765D+02
      2   0.440353D+00 -0.450029D+00  0.854196D+00  0.238966D+00 -0.801336D+00
      3   0.178449D+01  0.976510D+00  0.238966D+00 -0.934885D+00  0.556560D+01
               116           117           118           119           120 
      1  -0.801336D+00  0.556560D+01 -0.116011D+01  0.135078D+01  0.309074D-01
      2   0.145231D+01 -0.707151D+00  0.135078D+01  0.815110D+00 -0.828474D-01
      3  -0.707151D+00  0.788205D+00  0.309074D-01 -0.828474D-01  0.857223D+00
               121           122           123           124           125 
      1   0.325514D+01  0.208361D+01 -0.586402D-01  0.727211D+00 -0.509748D-01
      2   0.208361D+01  0.668318D+01 -0.302872D+00 -0.509748D-01 -0.741255D-01
      3  -0.586402D-01 -0.302872D+00  0.139923D+01  0.123715D+01  0.854956D+00
               126           127           128           129           130 
      1   0.123715D+01  0.165008D+02  0.130166D+01 -0.381081D+01  0.331404D+01
      2   0.854956D+00  0.130166D+01  0.110379D+01 -0.190543D+00  0.152347D+01
      3  -0.323268D+00 -0.381081D+01 -0.190543D+00  0.227491D+01 -0.980891D+00
               131           132           133           134           135 
      1   0.152347D+01 -0.980891D+00 -0.895701D+00 -0.215688D+00  0.114333D+01
      2   0.284121D+00 -0.515562D+00 -0.215688D+00  0.272559D-01  0.400916D+00
      3  -0.515562D+00  0.933682D+00  0.114333D+01  0.400916D+00 -0.490546D+00
               136           137           138           139           140 
      1  -0.306984D+00  0.536590D+00 -0.900604D+00  0.128012D+01  0.381244D-02
      2   0.536590D+00 -0.597640D+00  0.523456D+00  0.381244D-02  0.730831D+00
      3  -0.900604D+00  0.523456D+00 -0.313343D+01 -0.218977D+00 -0.160434D+01
               141           142           143           144           145 
      1  -0.218977D+00 -0.303059D+00 -0.350374D-01 -0.447075D+00  0.715616D+00
      2  -0.160434D+01 -0.350374D-01 -0.125999D+01  0.159868D+01 -0.696845D+00
      3   0.284686D+01 -0.447075D+00  0.159868D+01 -0.699686D+01 -0.127396D+00
               146           147           148           149           150 
      1  -0.696845D+00 -0.127396D+00 -0.243285D+01  0.830000D+00  0.998297D+00
      2   0.104072D+00  0.296239D-01  0.830000D+00 -0.613039D+01 -0.170275D+01
      3   0.296239D-01 -0.533219D+00  0.998297D+00 -0.170275D+01 -0.201265D+01
               151           152           153           154           155 
      1   0.128859D+00  0.208250D+00 -0.139051D+00  0.205515D+02 -0.356617D+01
      2   0.208250D+00 -0.729203D+00 -0.749882D+00 -0.356617D+01  0.198616D+01
      3  -0.139051D+00 -0.749882D+00 -0.765957D+00  0.127175D+01 -0.359684D+00
               156           157           158           159           160 
      1   0.127175D+01 -0.665219D+01  0.472945D+01 -0.697584D+00  0.135605D+01
      2  -0.359684D+00  0.472945D+01 -0.301743D+01  0.286373D+00 -0.332244D+00
      3   0.264533D+01 -0.697584D+00  0.286373D+00 -0.895853D+00  0.231975D+01
               161           162           163           164           165 
      1  -0.332244D+00  0.231975D+01  0.152106D+02 -0.146442D+01  0.456984D+01
      2  -0.458885D+00 -0.816444D+00 -0.146442D+01  0.204298D+00  0.277480D+00
      3  -0.816444D+00 -0.304441D+00  0.456984D+01  0.277480D+00  0.124014D+01
               166           167           168           169           170 
      1  -0.478816D+01  0.311246D+00 -0.910054D+00  0.617929D+00  0.720110D+00
      2   0.311246D+00  0.141957D+00  0.147633D+01  0.720110D+00  0.340806D+00
      3  -0.910054D+00  0.147633D+01 -0.577573D+00  0.730660D+00  0.372625D+00
               171           172           173           174           175 
      1   0.730660D+00 -0.117709D+02  0.963149D+00 -0.245099D+01  0.352014D+01
      2   0.372625D+00  0.963149D+00 -0.320138D+00 -0.289388D+00 -0.321715D-01
      3   0.762488D+01 -0.245099D+01 -0.289388D+00 -0.322554D+01  0.778913D+00
               176           177           178           179           180 
      1  -0.321715D-01  0.778913D+00 -0.683770D+01  0.769236D-01 -0.254667D+01
      2   0.682414D+00  0.857267D+00  0.769236D-01  0.104878D+01  0.282593D+00
      3   0.857267D+00  0.117189D+01 -0.254667D+01  0.282593D+00  0.574054D+00
               181           182           183           184           185 
      1  -0.133146D+02  0.242940D+01  0.438618D+00  0.727686D+01  0.827560D+00
      2   0.242940D+01 -0.116121D+02  0.939304D-01  0.827560D+00 -0.547057D+01
      3   0.438618D+00  0.939304D-01 -0.270597D+01 -0.299246D+00 -0.111335D+00
               186           187           188           189           190 
      1  -0.299246D+00  0.279207D+00  0.234194D+00 -0.542406D+01 -0.365047D+02
      2  -0.111335D+00  0.234194D+00  0.704548D+00  0.332791D+01  0.106373D+01
      3   0.140923D+01 -0.542406D+01  0.332791D+01  0.127929D+01  0.169523D+01
               191           192           193           194           195 
      1   0.106373D+01  0.169523D+01  0.158065D+02 -0.750739D+00 -0.831745D+00
      2  -0.781503D+01 -0.155852D+00 -0.750739D+00  0.133967D+02  0.779452D-01
      3  -0.155852D+00 -0.431782D+01 -0.831745D+00  0.779452D-01  0.395692D+00
               196           197           198           199           200 
      1   0.219504D+01  0.109194D+00 -0.730274D+01  0.428495D+02 -0.417171D+01
      2   0.109194D+00  0.954879D+00  0.491484D+00 -0.417171D+01  0.810738D+01
      3  -0.730274D+01  0.491484D+00  0.140761D+01 -0.286252D+01 -0.667046D-02
               201           202           203           204           205 
      1  -0.286252D+01 -0.187504D+02 -0.793609D+00  0.109347D+01 -0.413556D+01
      2  -0.667046D-02 -0.793609D+00 -0.555284D+01  0.124196D+00  0.779821D-02
      3   0.505070D+00  0.109347D+01  0.124196D+00 -0.301505D+01  0.117908D+00
               206           207           208           209           210 
      1   0.779821D-02  0.117908D+00  0.429436D+01  0.125346D+01 -0.315633D+00
      2  -0.661659D+00 -0.372528D+01  0.125346D+01  0.306040D+01  0.814769D-01
      3  -0.372528D+01 -0.239148D+00 -0.315633D+00  0.814769D-01  0.990362D+00
               211           212           213           214           215 
      1   0.247755D+00 -0.228398D+01 -0.256517D+00 -0.384898D+00 -0.117811D+00
      2  -0.228398D+01  0.167424D+01  0.254164D+00 -0.117811D+00 -0.243139D+00
      3  -0.256517D+00  0.254164D+00 -0.123692D+01 -0.211516D+00  0.404947D+00
               216           217           218           219           220 
      1  -0.211516D+00  0.186073D+01 -0.193541D+01 -0.339521D+00 -0.225839D+01
      2   0.404947D+00 -0.193541D+01 -0.336852D+01  0.508232D+00  0.778840D+00
      3  -0.282512D-01 -0.339521D+00  0.508232D+00 -0.242580D+01  0.752243D+00
               221           222           223           224           225 
      1   0.778840D+00  0.752243D+00  0.369819D-01  0.565326D+00  0.135146D+01
      2  -0.122462D+01 -0.324271D+00  0.565326D+00  0.681020D-01  0.455775D+01
      3  -0.324271D+00  0.605498D+01  0.135146D+01  0.455775D+01  0.392519D+00
               226           227           228           229           230 
      1   0.548756D+00  0.129655D+01 -0.280418D-01  0.218003D+00  0.752746D+00
      2   0.129655D+01  0.247175D+01 -0.587363D-01  0.752746D+00  0.108921D+02
      3  -0.280418D-01 -0.587363D-01  0.131857D+00  0.661292D-01  0.918353D-01
               231           232           233           234           235 
      1   0.661292D-01 -0.361102D-01 -0.706643D-01 -0.195999D+00 -0.741020D+01
      2   0.918353D-01 -0.706643D-01  0.404511D-01  0.225932D+00  0.479219D+01
      3   0.780354D+00 -0.195999D+00  0.225932D+00  0.546638D-01  0.682550D+00
               236           237           238           239           240 
      1   0.479219D+01  0.682550D+00  0.544522D+01 -0.531176D+01 -0.491413D+00
      2  -0.406888D+01 -0.432725D+00 -0.531176D+01  0.608699D+01  0.525412D+00
      3  -0.432725D+00 -0.621597D+00 -0.491413D+00  0.525412D+00  0.719789D+00
               241           242           243           244           245 
      1   0.858034D+00 -0.517869D+00  0.320752D+00 -0.162227D+01 -0.211059D+01
      2  -0.517869D+00  0.473791D+00  0.251292D+00 -0.211059D+01 -0.119000D+01
      3   0.320752D+00  0.251292D+00  0.194393D-01  0.706758D-01  0.143547D+00
               246           247           248           249           250 
      1   0.706758D-01 -0.329409D+01 -0.324084D+01  0.124467D+00  0.207785D-01
      2   0.143547D+00 -0.324084D+01 -0.668800D+01  0.861439D-01  0.112865D+00
      3  -0.665487D-01  0.124467D+00  0.861439D-01 -0.480501D+00  0.117082D-01
               251           252           253           254           255 
      1   0.112865D+00  0.117082D-01  0.424346D+00  0.470965D+00 -0.614738D+00
      2  -0.649458D-01  0.913405D-01  0.470965D+00  0.464106D+00  0.579526D-01
      3   0.913405D-01 -0.196264D-01 -0.614738D+00  0.579526D-01  0.981311D+00
               256           257           258           259           260 
      1  -0.989090D+00 -0.182889D+01 -0.124588D+01 -0.401012D+01 -0.236947D+01
      2  -0.182889D+01 -0.267835D+01 -0.200884D+01 -0.236947D+01 -0.257334D+01
      3  -0.124588D+01 -0.200884D+01 -0.244994D+01 -0.246506D+01 -0.290510D+01
               261           262           263           264           265 
      1  -0.246506D+01 -0.165128D+02 -0.145652D+01  0.111134D+01  0.115862D+01
      2  -0.290510D+01 -0.145652D+01 -0.103456D+01  0.815647D-01 -0.112428D+01
      3  -0.499018D+01  0.111134D+01  0.815647D-01 -0.114576D+01 -0.959660D-01
               266           267           268           269           270 
      1  -0.112428D+01 -0.959660D-01  0.118897D+01  0.880660D-01 -0.159220D+01
      2   0.194389D+00  0.113974D+00  0.880660D-01  0.113834D+00 -0.482650D+00
      3   0.113974D+00 -0.779140D-01 -0.159220D+01 -0.482650D+00  0.318728D+00
               271           272           273           274           275 
      1   0.119643D+01  0.743949D+00  0.351406D+00 -0.761796D+00 -0.158055D+01
      2   0.743949D+00  0.937013D+00 -0.691285D+00 -0.158055D+01 -0.298253D+01
      3   0.351406D+00 -0.691285D+00  0.163384D+01  0.936903D+00  0.239096D+01
               276           277           278           279 
      1   0.936903D+00  0.303231D+01  0.175390D+01 -0.208367D+01
      2   0.239096D+01  0.175390D+01  0.259033D+01 -0.316341D+01
      3  -0.279219D+01 -0.208367D+01 -0.316341D+01  0.502218D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.211897D+01  0.317416D+01 -0.445183D+00  0.530564D+01 -0.322769D+01
      2   0.899281D+01 -0.829606D-01 -0.322118D+00  0.107719D+02 -0.119277D+01
      3   0.357317D+02  0.295346D+02 -0.178348D+01  0.539662D+02 -0.185948D+02
                 6             7             8             9            10 
      1  -0.518915D+00 -0.450397D+01  0.627377D+01  0.238519D+00 -0.117632D+01
      2   0.150551D+01 -0.201358D+02  0.305910D+01  0.171498D+01 -0.139656D+02
      3  -0.383192D+01 -0.807755D-01 -0.356939D+01  0.217297D+01 -0.251268D+02
                11            12            13            14            15 
      1   0.420153D+01  0.646125D+00  0.303961D+01 -0.762434D+00  0.794582D+00
      2   0.883336D+00 -0.573796D+01 -0.114110D+02  0.121108D+01 -0.300445D+00
      3   0.338507D+02  0.191120D+01  0.453754D+02 -0.223644D+02 -0.394522D+01
                16            17            18            19            20 
      1  -0.392089D+01  0.764083D+01  0.560100D+00 -0.315402D+01 -0.967092D+00
      2  -0.228541D+02  0.188907D+01  0.214202D+01 -0.163050D+02  0.254120D+01
      3   0.371086D+01 -0.388406D+01 -0.184863D+01 -0.474425D+02 -0.215792D+02
                21            22            23            24            25 
      1   0.116284D+01 -0.711951D+00 -0.127803D+01 -0.351425D+01 -0.693112D+01
      2  -0.561638D+00  0.846804D+01 -0.164216D+01  0.243733D+01 -0.165596D+02
      3   0.271754D+01  0.193322D+02 -0.338277D+01 -0.571728D+00  0.305122D+01
                26            27            28            29            30 
      1   0.295798D+00 -0.157294D+01 -0.801904D+00  0.124273D+01 -0.621064D+00
      2   0.724193D+01  0.149207D+01  0.207980D+02 -0.209293D+01  0.148613D+01
      3   0.218168D+01 -0.329615D+01  0.225383D+02  0.680725D+01 -0.921717D+00
                31            32            33            34            35 
      1   0.578346D+01  0.257665D+01  0.300364D+01 -0.237247D+01  0.145808D+02
      2  -0.704685D+00  0.927324D+00 -0.186729D+01 -0.177929D+02  0.195650D+01
      3   0.237294D+02  0.342823D+01  0.662379D+00  0.102218D+01 -0.147098D+01
                36            37            38            39            40 
      1   0.117961D+01 -0.298542D+00 -0.238585D+01  0.487031D+01 -0.123166D+01
      2   0.149772D+01 -0.173578D-01 -0.480336D+00  0.213507D+01 -0.563019D+01
      3   0.364763D+01 -0.259893D+02 -0.469938D+01  0.451253D+00 -0.736910D+01
                41            42            43            44            45 
      1  -0.228631D+01 -0.103935D+01  0.155357D+02  0.660259D+01 -0.869957D+00
      2   0.567727D+00 -0.160766D+01 -0.110640D+02 -0.668452D+01  0.130437D+01
      3  -0.974500D+01 -0.143331D+01 -0.551297D+00 -0.148426D+01 -0.475130D+01
                46            47            48            49            50 
      1   0.168766D+01 -0.553702D+00 -0.489927D+01 -0.168004D+01  0.203519D+01
      2  -0.214358D+01 -0.444977D-01  0.127283D+01 -0.659409D+00  0.540127D+00
      3   0.472509D+02 -0.265504D+02 -0.263699D+01 -0.142668D+02  0.228630D+02
                51            52            53            54            55 
      1  -0.320728D+01 -0.833744D+01 -0.225620D+01  0.250995D+01  0.198318D+01
      2  -0.754797D+00 -0.181851D+02 -0.106492D+01  0.880838D+00 -0.122899D+01
      3   0.191948D+01 -0.435527D+01  0.276179D+01  0.622188D+01  0.259718D+02
                56            57            58            59            60 
      1  -0.345436D+01 -0.669351D+01  0.117017D+00  0.212948D+01 -0.385266D+01
      2  -0.160758D+01 -0.648586D+01  0.104542D+01 -0.599296D+00 -0.419999D+01
      3  -0.143284D+02 -0.587362D+00  0.760303D-01  0.229346D+02  0.284975D+00
                61            62            63            64            65 
      1  -0.698294D+01 -0.367003D+01  0.152078D+01 -0.514628D+00  0.543758D-01
      2  -0.234201D+02 -0.670098D+01  0.212889D+01 -0.625929D-01  0.467682D+00
      3  -0.122720D+01  0.156784D+01  0.130099D+02 -0.516731D-01  0.546731D+00
                66            67            68            69            70 
      1  -0.111144D+01 -0.579104D+00 -0.162967D+01 -0.392922D+01  0.270314D+00
      2   0.356401D+00  0.659012D+00  0.570333D+00  0.151408D+01 -0.220806D+01
      3   0.115420D+00  0.472278D+01 -0.486930D+01 -0.295226D-01  0.478526D-01
                71            72            73            74            75 
      1   0.202541D+01  0.224414D+00 -0.545498D+00 -0.523995D+00  0.251952D+01
      2  -0.778551D+00 -0.315266D-01  0.200095D+01 -0.992721D+00  0.161961D+01
      3  -0.154504D+00  0.510653D+00 -0.944268D+01  0.518149D-01  0.816348D+00
                76            77            78            79            80 
      1  -0.103506D+01  0.141427D+01 -0.274969D+01 -0.207973D+01  0.153437D+01
      2  -0.134533D+01  0.115062D+01 -0.238687D+01 -0.266508D+01  0.181395D+00
      3   0.151828D+01  0.255233D+01  0.212978D-01  0.192585D+01  0.618755D-01
                81            82            83            84            85 
      1   0.626281D-01  0.796414D+00  0.940991D+00 -0.114886D+01  0.369475D+00
      2  -0.459037D-01 -0.243036D+00 -0.345315D+00  0.691441D+00 -0.248802D+00
      3   0.620690D+00  0.538979D+01  0.236649D+01 -0.288677D+00  0.521647D+01
                86            87            88            89            90 
      1   0.286680D+01 -0.441452D+01  0.101643D+01  0.199998D+01 -0.595746D-01
      2  -0.528616D+00  0.991068D+00 -0.733228D+00  0.118976D+01  0.261977D-01
      3   0.400158D+01  0.100047D+00 -0.497008D+00 -0.274791D+00 -0.121769D+01
                91            92            93            94            95 
      1  -0.255913D+01  0.732693D+00  0.100842D+01  0.238497D+01  0.233762D+01
      2  -0.147659D+02  0.113505D+01 -0.907454D+01 -0.974481D+00 -0.138278D+01
      3  -0.139921D+02 -0.514381D+01  0.171894D+00  0.118236D+02  0.235114D+02
                96            97            98            99           100 
      1  -0.289449D+01  0.321427D+01  0.334716D+01 -0.111218D+01  0.447127D+01
      2   0.372015D+01 -0.406508D+02  0.504418D+01 -0.363180D+01 -0.137028D+02
      3  -0.375812D+00  0.461997D+00  0.170370D+00 -0.948970D+01  0.155378D+02
               101           102           103           104           105 
      1  -0.246557D+01  0.733095D+00  0.351353D+00 -0.111516D+02 -0.688454D+01
      2  -0.431864D+01  0.225063D+02 -0.317254D+01  0.649957D+01 -0.115859D+02
      3  -0.580660D+01 -0.808785D+00 -0.570582D+00 -0.241362D+02 -0.612875D+01
               106           107           108           109           110 
      1  -0.141387D+01 -0.948404D+00  0.730818D+01  0.759854D+01 -0.242680D+01
      2   0.172626D+02 -0.917708D+01  0.756273D+01  0.165298D+02 -0.168415D+01
      3  -0.419117D+01 -0.460058D+01  0.112978D+02  0.340573D+00  0.140624D+02
               111           112           113           114           115 
      1  -0.842941D+01 -0.136700D+02  0.283704D+01 -0.146315D+02 -0.827630D+01
      2   0.426492D+01  0.898180D+00  0.154504D+01  0.725196D+01  0.166024D+02
      3   0.196604D+01  0.194391D+02 -0.156466D+02  0.170003D+01  0.802448D+01
               116           117           118           119           120 
      1  -0.424005D+01 -0.304935D+01 -0.626638D+00 -0.692834D+00 -0.346047D+00
      2   0.688929D+00  0.120116D+01 -0.338815D+00  0.426093D+00  0.360212D+01
      3  -0.986163D-01  0.598344D+01 -0.762462D+01 -0.291290D+01  0.127045D+00
               121           122           123           124           125 
      1  -0.828403D+00 -0.377026D+01 -0.249928D+01 -0.277103D+00  0.400333D+00
      2   0.110512D+01  0.536992D+00  0.452559D+01  0.245466D+01  0.243704D+01
      3  -0.195212D+01 -0.241701D+02  0.875014D+00  0.930550D+00  0.575895D-01
               126           127           128           129           130 
      1   0.208430D+00 -0.220593D+01 -0.330423D+01 -0.917367D-01 -0.308513D+01
      2  -0.474616D+00  0.129441D+02  0.175643D+01  0.682845D+01  0.166705D+01
      3  -0.189812D+01 -0.521420D+01 -0.791349D+01  0.728338D+00 -0.557187D+01
               131           132           133           134           135 
      1  -0.503434D-01 -0.531932D-01  0.712760D+00  0.890195D+00 -0.831331D+00
      2   0.395277D+00  0.274779D+01  0.251172D+01  0.782234D+00  0.298564D+00
      3  -0.412725D+00  0.197532D+01  0.381843D+00  0.185356D+01 -0.149486D+01
               136           137           138           139           140 
      1  -0.188146D+01  0.279053D+01 -0.951202D+00  0.101460D+01 -0.202572D+01
      2  -0.684314D+01  0.347122D+01 -0.134396D+02  0.237647D+01 -0.648641D+01
      3  -0.280981D+01  0.239001D+01 -0.200069D+01  0.191228D+01 -0.236776D+01
               141           142           143           144           145 
      1   0.210367D+01 -0.595890D-01  0.481478D+01 -0.354430D+01  0.256100D+01
      2   0.109626D+02 -0.605224D+01  0.692735D+01 -0.281109D+02 -0.135403D+00
      3   0.584423D+01  0.215085D+00  0.434766D+01 -0.629950D+01  0.463901D+01
               146           147           148           149           150 
      1   0.213105D+00 -0.478797D+00 -0.288992D+00  0.142845D+02  0.438459D+00
      2  -0.117033D+01 -0.181270D+01 -0.812119D+00 -0.575254D+01 -0.626447D+01
      3   0.306366D+00 -0.585979D+00  0.117734D+01  0.270333D+02  0.630104D+01
               151           152           153           154           155 
      1  -0.507207D+00  0.237115D+01  0.121264D+01 -0.578439D+01  0.294874D+01
      2  -0.105525D+01 -0.224722D+01 -0.307231D+01 -0.833201D+01  0.116956D+01
      3  -0.177771D+01  0.253155D+01  0.312556D+01  0.134368D+02 -0.227848D+02
               156           157           158           159           160 
      1   0.408252D+01  0.931162D+01 -0.395383D+01 -0.404323D+00  0.195059D+01
      2   0.217072D+02 -0.386784D+01 -0.179301D+01 -0.962278D+01  0.559980D+01
      3   0.247709D+00 -0.197988D+02  0.191272D+02 -0.182164D+01  0.871760D-01
               161           162           163           164           165 
      1   0.288759D+01 -0.636247D+00 -0.912585D+01  0.257300D+01  0.683609D+00
      2  -0.320330D+01 -0.242424D+01 -0.130415D+02  0.479483D+01  0.191425D+01
      3  -0.706091D+00  0.305292D+01  0.118537D+02 -0.427191D+01  0.634433D+00
               166           167           168           169           170 
      1   0.741227D+01 -0.128857D+00  0.491148D+01 -0.129469D+01  0.907494D+01
      2   0.663636D+01  0.526692D+01 -0.324984D+01 -0.673036D+01  0.113174D+01
      3  -0.372808D+01  0.333639D-01 -0.785015D+01 -0.213512D+01 -0.244535D+01
               171           172           173           174           175 
      1  -0.882573D+00  0.893261D+01 -0.251083D+01  0.215182D+01 -0.751165D+01
      2   0.266731D+02  0.238516D+02 -0.406395D+01 -0.708926D+01 -0.619550D+01
      3  -0.179419D+01 -0.936826D+01  0.236904D+01 -0.115604D+01  0.729051D+01
               176           177           178           179           180 
      1   0.552267D+00 -0.272082D+01  0.254776D+01 -0.856585D+00  0.112272D+01
      2   0.367009D+01  0.278789D+01 -0.136971D+01  0.531032D+00  0.374724D+01
      3  -0.107729D+01 -0.939652D+00 -0.469817D+01  0.354734D+00 -0.197022D+01
               181           182           183           184           185 
      1  -0.238518D+00  0.180425D+01  0.712611D+01 -0.105589D+01 -0.157683D+01
      2  -0.125826D+01  0.771598D-01  0.921206D+01  0.120414D+01  0.181378D+01
      3  -0.235788D+02 -0.101046D+02  0.115845D+01 -0.401013D+01 -0.290934D+02
               186           187           188           189           190 
      1  -0.125354D+01  0.173585D+02  0.684328D+01 -0.270188D+01 -0.160312D+01
      2  -0.337410D+01  0.291570D+01 -0.127694D+02 -0.267426D+01 -0.767466D+01
      3  -0.559742D+00  0.150693D+00 -0.604167D+00 -0.199593D+01 -0.244164D+02
               191           192           193           194           195 
      1   0.447718D+01  0.103388D+01  0.515699D+01 -0.991270D+00  0.449765D+01
      2  -0.196889D+00  0.339863D+01  0.292094D+01 -0.183646D+01 -0.853324D+00
      3   0.187472D+02  0.226780D+01  0.603703D+02  0.236524D+02 -0.437317D+01
               196           197           198           199           200 
      1  -0.321373D+01  0.148061D+02  0.651226D+00  0.568774D+00 -0.311522D+01
      2   0.285650D+01 -0.154174D+01 -0.198899D+01  0.990071D+01 -0.118379D+00
      3   0.379972D+01 -0.239847D+01 -0.487138D+00  0.154879D+02 -0.230334D+02
               201           202           203           204           205 
      1  -0.251251D+00 -0.127659D+01  0.104518D+01 -0.374943D+01 -0.124203D+01
      2   0.252777D+01 -0.295954D+01 -0.338220D+00  0.689390D+01 -0.219903D+02
      3  -0.209900D+01 -0.191253D+02 -0.131249D+01  0.222760D+01 -0.296126D+01
               206           207           208           209           210 
      1   0.260506D+01  0.411864D+00  0.149224D+01 -0.410346D+01 -0.116817D+01
      2   0.130727D+02  0.187469D+01  0.435242D+00  0.574524D+00  0.894493D+01
      3   0.220210D+01 -0.627886D+01  0.205626D+02 -0.395596D+02 -0.234423D+01
               211           212           213           214           215 
      1  -0.399953D+00  0.744428D-01 -0.779335D+01  0.387025D+01 -0.424621D+00
      2   0.841886D+00 -0.597454D+00  0.933438D+01 -0.564298D+01 -0.473736D+01
      3  -0.219765D+01  0.295919D+01  0.777591D+00 -0.216649D+01  0.336043D+01
               216           217           218           219           220 
      1  -0.391354D+00 -0.201766D+01  0.697414D+00 -0.382658D+01  0.478699D+00
      2  -0.332694D+00  0.203363D+01 -0.255366D+01  0.130073D+02 -0.334069D+01
      3   0.182466D+01 -0.373932D+02 -0.147265D+02  0.620883D+01 -0.137929D+01
               221           222           223           224           225 
      1   0.129527D+01  0.108278D+02  0.123277D+02  0.125946D+02  0.175351D+01
      2   0.110857D+01 -0.354195D+02 -0.454401D+01 -0.246597D+02 -0.268734D+01
      3   0.183722D+02 -0.163479D+01  0.501859D+01 -0.686818D+00  0.326924D+02
               226           227           228           229           230 
      1   0.254377D+00  0.270211D+00 -0.132489D+01 -0.132550D+00 -0.233446D+00
      2   0.117873D-01  0.124277D+00  0.341203D+00 -0.161755D+00 -0.415572D+00
      3   0.701827D+01  0.666064D+01 -0.396851D+00  0.500140D+01  0.230874D+02
               231           232           233           234           235 
      1  -0.480416D+01  0.636046D+00  0.211723D+01 -0.139214D+00 -0.101713D+01
      2  -0.407336D+00  0.363160D+00  0.195247D+00 -0.126007D+00 -0.163949D+01
      3   0.353511D+00 -0.529786D+00 -0.243558D+00 -0.586526D+00 -0.203669D+00
               236           237           238           239           240 
      1   0.271127D+00  0.254262D+01  0.294848D+00 -0.107211D+00 -0.307299D+01
      2   0.105996D+01  0.368526D+01  0.112134D+01 -0.133637D+01 -0.392015D+01
      3  -0.676958D+01 -0.112978D+00 -0.685248D+01  0.128438D+02  0.947126D+00
               241           242           243           244           245 
      1  -0.281155D+01  0.100750D+01  0.256913D-01  0.342026D+00  0.322390D+00
      2  -0.321309D+01 -0.101504D+01 -0.130887D+00 -0.409772D+00 -0.557473D+00
      3   0.192346D+00  0.735420D+00  0.151887D+01 -0.852188D+00 -0.125124D+01
               246           247           248           249           250 
      1  -0.565510D+00  0.458800D+00  0.228888D+00 -0.315869D+01 -0.185092D+00
      2   0.266593D+00 -0.571263D+00 -0.348613D+00  0.165258D+01 -0.159389D+01
      3   0.839362D-01 -0.519755D+00 -0.160302D+02 -0.129831D+00  0.138654D+00
               251           252           253           254           255 
      1   0.153783D+01  0.381541D-01 -0.522542D+00  0.298672D+00  0.218515D+01
      2  -0.141794D+01  0.811465D-01  0.541691D+01  0.178907D+00 -0.467787D+01
      3  -0.419536D+00  0.587141D+00  0.427717D+00  0.515071D+01  0.198692D+01
               256           257           258           259           260 
      1  -0.150878D+01 -0.318295D+01 -0.556774D+01 -0.467386D+01 -0.319234D+01
      2   0.597418D+01  0.105691D+02  0.138160D+02  0.774511D+01  0.157046D+02
      3  -0.600848D+01 -0.190417D+02 -0.123551D+02 -0.772894D+01 -0.168232D+02
               261           262           263           264           265 
      1  -0.101041D+02  0.112438D+01 -0.471235D+00 -0.153201D+01 -0.260586D+00
      2   0.267380D+02 -0.260589D+01 -0.134038D+00  0.901461D+01  0.286947D+00
      3  -0.197032D+02  0.115379D+02 -0.825904D+01 -0.100547D+01 -0.537219D+01
               266           267           268           269           270 
      1   0.190820D+00 -0.888867D+00 -0.208900D+01 -0.376418D+00  0.203096D+00
      2  -0.367655D+00  0.616673D+00  0.706499D+01  0.242723D+01 -0.155324D+01
      3   0.229873D+01  0.639542D+00 -0.100135D+01  0.899450D+00 -0.198483D+01
               271           272           273           274           275 
      1   0.141827D+00 -0.379022D-01  0.313891D+01  0.630273D+00  0.138767D+01
      2  -0.505490D+01  0.288395D+01 -0.784250D+01 -0.392179D+01 -0.117546D+02
      3   0.548261D+00  0.833712D+01 -0.596544D+01 -0.432428D+01 -0.212202D+02
               276           277           278           279 
      1  -0.471350D+01 -0.303459D+01 -0.177271D+01  0.776396D+01
      2   0.150570D+02  0.517932D+01  0.163040D+02 -0.252274D+02
      3   0.144995D+02  0.474247D+01  0.167783D+02 -0.211697D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.641546D+02  0.175785D+02  0.401767D+01 -0.868250D+02 -0.692444D+00
      2   0.257383D+02 -0.102063D+02 -0.221063D+01  0.350988D+02  0.131789D+02
      3   0.384162D+02 -0.737216D+01 -0.180704D+01  0.517262D+02 -0.124864D+02
      4  -0.139391D+02  0.156534D+02  0.157702D+01  0.122710D+02 -0.226112D+02
      5   0.873103D+00 -0.960812D+00 -0.209258D+01 -0.314988D+01  0.159336D+01
      6   0.748296D+00 -0.108185D+01  0.117675D+01  0.199635D+01 -0.173669D+01
                 6             7             8             9            10 
      1   0.718096D+01  0.514616D+01 -0.113992D+01 -0.958500D+01  0.755850D+02
      2  -0.261499D+01 -0.269414D+01  0.166406D+01 -0.630961D+00 -0.206744D+02
      3  -0.456597D+01 -0.245201D+01 -0.524140D+00  0.102160D+02 -0.549107D+02
      4  -0.145735D+01  0.982666D+00 -0.137545D+01 -0.162688D+01  0.330240D+02
      5   0.450049D+01  0.106915D+01 -0.638727D+00  0.175930D+01 -0.981705D+00
      6  -0.610409D+00  0.344683D+01  0.520696D+01 -0.950191D+00 -0.304648D+01
                11            12            13            14            15 
      1   0.152287D+02 -0.728982D+01  0.914282D+02 -0.191478D+02 -0.718593D+01
      2  -0.112177D+02  0.138248D+01 -0.329430D+02  0.126078D+02  0.312467D+01
      3  -0.401102D+01  0.590734D+01 -0.584852D+02  0.654002D+01  0.406126D+01
      4   0.986503D+01 -0.133574D+01 -0.264546D+02  0.204911D+02  0.184525D+01
      5  -0.858124D+00 -0.132395D+02  0.237599D+01 -0.881196D+00 -0.255952D+01
      6   0.593312D+00 -0.254693D+00 -0.465383D+00  0.197569D+01 -0.246913D+01
                16            17            18            19            20 
      1  -0.483101D+01 -0.115414D+01 -0.633174D+01  0.436459D+02 -0.261323D+02
      2   0.340949D+00  0.703001D+00 -0.258247D+01 -0.907010D+01  0.138618D+02
      3   0.449007D+01  0.451136D+00  0.891421D+01 -0.345758D+02  0.122705D+02
      4  -0.266286D+01 -0.391456D-01  0.475584D+01  0.204433D+01 -0.240220D+02
      5   0.156403D+01  0.318565D+01  0.285035D+01  0.907271D+00  0.160266D+01
      6   0.263740D+01  0.405832D+01 -0.185605D+00 -0.127012D+01  0.499762D+01
                21            22            23            24            25 
      1  -0.798825D+01  0.120133D+02  0.193947D+02  0.366145D+01 -0.480562D+01
      2   0.351314D+01 -0.273956D+02 -0.251483D+02 -0.236063D+00  0.290985D+00
      3   0.447511D+01  0.153823D+02  0.575360D+01 -0.342539D+01  0.451464D+01
      4  -0.423835D-01  0.876274D+01 -0.110867D+01 -0.306637D+00  0.170517D+01
      5  -0.460914D+01 -0.128354D+01 -0.435583D-01  0.950273D+01  0.129904D+02
      6  -0.400006D+00  0.791188D+00 -0.202554D+01  0.693596D+01  0.383709D+01
                26            27            28            29            30 
      1   0.801796D+01 -0.117712D+02  0.161999D+02 -0.737026D+01  0.542852D+01
      2  -0.288209D+01 -0.148705D+00 -0.395207D+02  0.676920D+01 -0.708675D+00
      3  -0.513587D+01  0.119199D+02  0.233208D+02  0.601065D+00 -0.471985D+01
      4   0.181521D+01  0.694440D+01 -0.275843D+01  0.146778D+02  0.156865D+00
      5   0.884364D+01  0.221420D+01 -0.727802D+01  0.181766D+01  0.113831D+02
      6   0.131927D+02 -0.251281D+01  0.124508D+01 -0.259851D+01  0.265103D+01
                31            32            33            34            35 
      1   0.433652D+02 -0.461680D+02 -0.126685D+01  0.562467D+01 -0.220388D+01
      2  -0.292985D+02  0.404579D+02  0.174447D+01 -0.124538D+00  0.112334D+01
      3  -0.140666D+02  0.571007D+01 -0.477618D+00 -0.550014D+01  0.108055D+01
      4  -0.284661D+02 -0.163031D+02  0.220585D+00 -0.236659D+01 -0.656530D+00
      5  -0.215998D+01  0.180918D+01 -0.361947D+01  0.340489D+02 -0.340037D+01
      6   0.745699D+00  0.470209D+01 -0.466969D+01  0.449740D+01  0.331598D+01
                36            37            38            39            40 
      1   0.544082D+00 -0.226470D+02  0.573923D+02  0.486206D+01 -0.413897D+02
      2  -0.122389D+02  0.130479D+02 -0.385686D+02 -0.108127D+01  0.430275D+02
      3   0.116948D+02  0.959903D+01 -0.188237D+02 -0.378079D+01 -0.163783D+01
      4  -0.305422D+00  0.267593D+02  0.433393D+01 -0.290131D+01  0.169891D+02
      5  -0.128242D+01  0.492379D+00 -0.480957D+01  0.463548D+01  0.316834D+01
      6  -0.885592D+00 -0.366681D+01 -0.456923D+01 -0.101492D+02 -0.111112D+01
                41            42            43            44            45 
      1   0.255902D+02  0.634647D+00  0.276976D+01 -0.683301D+01 -0.127847D+02
      2  -0.241203D+02 -0.258791D+01  0.310006D+01  0.168839D+01 -0.565440D+00
      3  -0.146989D+01  0.195326D+01 -0.586983D+01  0.514462D+01  0.133501D+02
      4   0.244170D+02  0.385300D+00 -0.422545D+01  0.162774D+01 -0.691020D+01
      5  -0.118527D+01 -0.845073D+01  0.137231D+02 -0.750008D+01 -0.227625D+01
      6  -0.358092D+01  0.227505D+01 -0.179372D+02  0.916568D+01  0.493958D+01
                46            47            48            49            50 
      1   0.275856D+02 -0.447612D+02 -0.654911D+01  0.169072D+02  0.513988D+01
      2  -0.213532D+02  0.285682D+02  0.196606D+01 -0.128783D+02 -0.159934D+02
      3  -0.623237D+01  0.161930D+02  0.458305D+01 -0.402886D+01  0.108535D+02
      4  -0.319269D+02 -0.127488D+02  0.214355D+01  0.182580D+02 -0.105635D+02
      5   0.324772D+01  0.203317D+01  0.993562D+00  0.170435D+00 -0.493191D+00
      6   0.214435D+01  0.652444D+01  0.826424D+01 -0.158620D+01 -0.202667D+00
                51            52            53            54            55 
      1  -0.121286D+01 -0.427590D+01  0.292517D+01 -0.211724D+02 -0.191078D+02
      2  -0.638162D+00  0.262297D+01 -0.502543D+01  0.881892D+01  0.378226D+01
      3   0.185103D+01  0.165292D+01  0.210026D+01  0.123535D+02  0.153255D+02
      4  -0.106337D+01  0.330030D+01  0.284809D+01  0.118530D+01  0.285837D+02
      5   0.263393D+00  0.350101D+01 -0.233136D+00  0.230899D+01 -0.366375D+01
      6   0.835841D+01  0.224505D+01  0.203196D+02  0.163340D+01  0.118531D+01
                56            57            58            59            60 
      1  -0.308642D+02 -0.252765D+01  0.120231D+01  0.149203D+02  0.438705D+00
      2   0.287255D+02  0.134151D+01 -0.637869D+01 -0.204025D+02 -0.187930D+00
      3   0.213878D+01  0.118614D+01  0.517638D+01  0.548219D+01 -0.250774D+00
      4  -0.603131D+02 -0.298101D+01  0.151541D+02 -0.122622D+02  0.214612D-01
      5   0.142285D+01 -0.114834D+02  0.601053D+00 -0.783010D-01 -0.635879D+01
      6   0.297434D+01  0.125780D+02 -0.337826D+00 -0.457556D+00  0.999739D+01
                61            62            63            64            65 
      1  -0.655856D+00  0.253946D+01 -0.279340D+02 -0.126904D+01 -0.376262D+01
      2   0.960722D+00 -0.331039D+01  0.148495D+02  0.560531D+01  0.627514D+01
      3  -0.304866D+00  0.770933D+00  0.130845D+02 -0.433627D+01 -0.251252D+01
      4  -0.290648D+01  0.782953D+01 -0.118703D+02  0.878765D+01  0.120248D+02
      5  -0.199219D+01 -0.166391D+02  0.378968D+01 -0.817511D+00 -0.684326D+00
      6   0.219878D+01  0.249633D+02 -0.207531D+01 -0.126932D+01 -0.150922D+01
                66            67            68            69            70 
      1   0.157412D+00 -0.877123D+01 -0.311755D+02  0.121260D+01 -0.115555D+01
      2  -0.801577D-01  0.134199D+02  0.408970D+02 -0.897604D+00  0.759079D+00
      3  -0.772539D-01 -0.464865D+01 -0.972140D+01 -0.314992D+00  0.396473D+00
      4  -0.483338D+00  0.132509D+02  0.224793D+02 -0.551056D+00 -0.319442D+00
      5   0.143399D+01 -0.579808D+00  0.244714D+00  0.224479D+01 -0.304135D+00
      6   0.135414D+01 -0.185365D+01 -0.486263D+01  0.583573D+01  0.129297D+01
                71            72            73            74            75 
      1  -0.139460D+00 -0.302489D+01  0.673497D+01  0.154676D+01 -0.526179D-01
      2   0.225242D-01  0.343243D+01  0.140670D+01 -0.770519D+01  0.983728D-01
      3   0.116936D+00 -0.407532D+00 -0.814167D+01  0.615843D+01 -0.457549D-01
      4  -0.522713D+00  0.770433D+00 -0.219231D+02  0.180002D+02  0.172916D+01
      5   0.102681D+00 -0.348174D+00 -0.495197D+01  0.217210D+01  0.419059D+01
      6   0.263731D+01 -0.295679D+00  0.311975D+01 -0.243518D+01 -0.224011D+01
                76            77            78            79            80 
      1   0.541689D+01 -0.129845D+02 -0.151241D+01 -0.129716D+01 -0.469437D+00
      2  -0.137373D+02  0.224447D+02  0.129432D+01  0.480337D-01  0.760065D+00
      3   0.832039D+01 -0.946028D+01  0.218095D+00  0.124912D+01 -0.290628D+00
      4   0.241310D+02 -0.260073D+02 -0.218366D+01  0.200786D+01 -0.145669D+01
      5   0.288543D+01 -0.246454D+01 -0.351074D+01  0.282350D-01 -0.132340D+01
      6  -0.382198D+01  0.472735D+01  0.475180D+01  0.875261D+00  0.213048D+01
                81            82            83            84            85 
      1   0.388157D-03 -0.431397D+01 -0.792100D+01  0.372035D+00 -0.583620D+01
      2   0.964860D+00  0.671501D+01  0.115281D+02 -0.254507D+00  0.732936D+01
      3  -0.965248D+00 -0.240103D+01 -0.360714D+01 -0.117529D+00 -0.149316D+01
      4  -0.226103D+01  0.447589D+01  0.126549D+02  0.267143D+00  0.734835D+01
      5  -0.340474D+00  0.841903D+00  0.127703D+01  0.191866D+01  0.690513D+00
      6   0.499480D+00  0.658856D+00  0.364096D+00  0.139862D+01  0.809938D+00
                86            87            88            89            90 
      1  -0.478165D+02 -0.100901D+01  0.885965D+00  0.125236D+00 -0.159745D+01
      2   0.628829D+02  0.684924D+00 -0.661298D+00 -0.686566D-01  0.201939D+01
      3  -0.150664D+02  0.324090D+00 -0.224668D+00 -0.565794D-01 -0.421938D+00
      4   0.149414D+02  0.391704D+00 -0.134349D+00 -0.764808D+00  0.222176D+01
      5   0.297477D+01  0.110780D+01  0.995739D+00  0.194479D+01 -0.236416D-01
      6   0.468654D+01  0.685596D+01  0.230270D+00  0.295491D+01 -0.510329D-01
                91            92            93            94            95 
      1  -0.172238D+02  0.740025D+01 -0.122590D+02  0.107364D+02  0.964493D+01
      2   0.273840D+02 -0.840647D+01 -0.143629D+01 -0.149897D+02 -0.182071D+02
      3  -0.101602D+02  0.100623D+01  0.136952D+02  0.425324D+01  0.856212D+01
      4   0.958254D+01 -0.237881D+01 -0.993535D+00 -0.475401D+01 -0.427491D+02
      5   0.420591D+00 -0.241015D+01 -0.270331D+02 -0.152856D+02 -0.807959D+00
      6  -0.220700D+01  0.276362D+01  0.953946D+00 -0.295264D+00  0.596009D+01
                96            97            98            99           100 
      1  -0.674277D+01 -0.710404D+01 -0.296755D+00 -0.282857D+02 -0.745041D+02
      2   0.100720D+02 -0.437291D+01  0.318957D+00  0.232798D+02  0.403030D+02
      3  -0.332921D+01  0.114770D+02 -0.222016D-01  0.500595D+01  0.342011D+02
      4  -0.104197D+01 -0.246425D+01 -0.107302D+01  0.866179D+01 -0.259034D+02
      5   0.877574D+01 -0.702213D+02  0.985065D+01  0.696711D+01  0.381238D+02
      6   0.190183D+01  0.257373D+01  0.240516D+00 -0.367490D+01  0.117365D+02
               101           102           103           104           105 
      1  -0.187492D+02  0.330227D+02 -0.323937D+02  0.113416D+02 -0.603525D+01
      2   0.759642D+01 -0.298207D+01  0.238523D+02 -0.744162D+01 -0.108998D+02
      3   0.111528D+02 -0.300406D+02  0.854144D+01 -0.390001D+01  0.169351D+02
      4   0.555807D+01  0.455307D+00  0.220888D+01  0.388442D+02  0.107550D+02
      5   0.454819D+01  0.191730D+02  0.172833D+02  0.713702D+01 -0.186095D+02
      6  -0.362522D+01  0.189981D+01 -0.170773D+01 -0.185548D+02 -0.660723D+01
               106           107           108           109           110 
      1   0.151194D+01 -0.764988D+01  0.360479D+02 -0.993639D+02  0.206252D+02
      2   0.189938D+02 -0.537465D+01 -0.164008D+02  0.416497D+02 -0.315222D+01
      3  -0.205057D+02  0.130245D+02 -0.196471D+02  0.577142D+02 -0.174730D+02
      4   0.230093D+01  0.643549D+01 -0.160894D+02  0.338198D+02 -0.220713D+02
      5   0.472483D+02 -0.146130D+02 -0.197034D+02 -0.179618D+02  0.803526D+01
      6  -0.250459D+01 -0.343358D+01  0.146473D+02  0.645697D+01 -0.170686D+01
               111           112           113           114           115 
      1  -0.842852D+01  0.336812D+02 -0.134838D+02  0.343556D+01  0.380176D+02
      2   0.390708D+01 -0.831269D+01  0.951983D+01 -0.267902D+01 -0.266529D+02
      3   0.452143D+01 -0.253685D+02  0.396399D+01 -0.756537D+00 -0.113647D+02
      4   0.507204D+01 -0.398397D+01  0.218428D+02  0.889885D+00 -0.345214D+01
      5  -0.113334D+01  0.147107D+02 -0.982379D+00  0.156841D+01  0.360223D+02
      6   0.320289D+01 -0.160987D+01  0.334239D+01  0.136378D+01 -0.443633D+01
               116           117           118           119           120 
      1   0.229099D+00  0.315781D+02 -0.391733D+01  0.649723D+01  0.154773D+01
      2   0.167488D+01 -0.869315D+01  0.766749D+01 -0.136655D+01 -0.783688D+00
      3  -0.190397D+01 -0.228849D+02 -0.375016D+01 -0.513069D+01 -0.764046D+00
      4   0.456752D+01 -0.731437D+01  0.121452D+02  0.111162D+02 -0.811650D+00
      5  -0.708648D+01  0.819172D+01  0.610638D+00 -0.122424D+01  0.790540D+01
      6  -0.289228D+01 -0.356879D+01 -0.131402D+01 -0.109758D+01  0.187544D+00
               121           122           123           124           125 
      1   0.101100D+02 -0.129824D+02  0.295103D+01  0.340820D+01 -0.371958D+00
      2   0.330708D+00  0.277331D+02 -0.166733D+01 -0.197287D+01  0.181834D+01
      3  -0.104407D+02 -0.147507D+02 -0.128370D+01 -0.143533D+01 -0.144638D+01
      4   0.193864D+02  0.502185D+02 -0.227399D+01 -0.614824D-01 -0.121931D+00
      5  -0.844290D+00 -0.205451D+01  0.104233D+02  0.100508D+02  0.541983D+01
      6  -0.168201D+01 -0.658327D+01  0.456508D+01  0.169643D+01  0.588236D+01
               126           127           128           129           130 
      1   0.890381D+00  0.116770D+03  0.115401D+02 -0.212629D+02  0.217607D+02
      2  -0.332336D+00 -0.702294D+02 -0.550368D+01  0.184186D+02 -0.121481D+02
      3  -0.558045D+00 -0.465405D+02 -0.603638D+01  0.284431D+01 -0.961257D+01
      4   0.582884D+01  0.181866D+02  0.143943D+02 -0.349038D+01  0.194734D+02
      5  -0.213311D+01 -0.650161D+02 -0.533280D+01  0.294424D+02 -0.142843D+02
      6  -0.526523D+00 -0.776250D+01 -0.549640D+01  0.162161D+01 -0.681083D+01
               131           132           133           134           135 
      1   0.994723D+01 -0.268316D+01 -0.712489D+01  0.627609D+00  0.689566D+01
      2  -0.420798D+01  0.434540D+01  0.739987D+01  0.130747D+01 -0.709393D+01
      3  -0.573925D+01 -0.166224D+01 -0.274980D+00 -0.193508D+01  0.198269D+00
      4   0.360925D+01 -0.550966D+01 -0.867916D+00 -0.215550D+01  0.367564D+01
      5  -0.718120D+01  0.840478D+01  0.166079D+02  0.343878D+01 -0.759155D+01
      6  -0.819350D+00  0.355641D+01  0.156181D+01  0.164365D+01 -0.205060D+01
               136           137           138           139           140 
      1  -0.396173D+01  0.722601D+01 -0.221905D+02  0.786707D+01 -0.101140D+02
      2  -0.155862D+01 -0.154287D+01 -0.150149D+01 -0.485442D+01  0.185316D+01
      3   0.552035D+01 -0.568314D+01  0.236920D+02 -0.301266D+01  0.826087D+01
      4   0.375764D+01 -0.387953D+01  0.300353D+01  0.161369D+01  0.434732D+01
      5  -0.197168D+01  0.261329D+00 -0.113794D+02 -0.570219D+01 -0.807545D+01
      6  -0.321845D+01  0.454004D+01 -0.450216D+01 -0.101153D+00 -0.605973D+01
               141           142           143           144           145 
      1   0.126957D+02 -0.853192D+01  0.844692D+01 -0.378025D+02  0.735543D+01
      2   0.347273D+01  0.238926D+01  0.225701D+01 -0.126585D+02 -0.208588D+01
      3  -0.161684D+02  0.614265D+01 -0.107039D+02  0.504611D+02 -0.526955D+01
      4  -0.108904D+02 -0.551711D+00 -0.868003D+01  0.118611D+02 -0.481384D+01
      5   0.165316D+02  0.492614D+01  0.883245D+01 -0.371434D+02 -0.428914D+01
      6   0.120092D+02 -0.948042D-01  0.915152D+01 -0.124311D+02  0.220151D+01
               146           147           148           149           150 
      1  -0.499271D+01 -0.546118D+01 -0.112717D+02 -0.995254D+01 -0.276327D+01
      2   0.255485D+01  0.655934D+00  0.684594D+01  0.133646D+02 -0.227630D+01
      3   0.243786D+01  0.480525D+01  0.442580D+01 -0.341208D+01  0.503957D+01
      4   0.341793D+01  0.824712D+00  0.111428D+02 -0.480088D+02 -0.133288D+02
      5   0.230729D+01 -0.126509D+01  0.125934D+02 -0.122942D+02 -0.154646D+02
      6  -0.120679D+00  0.437811D-01 -0.430307D+01  0.264226D+02  0.109350D+02
               151           152           153           154           155 
      1  -0.792483D+00 -0.220260D+01 -0.680924D+01  0.197092D+03 -0.311838D+02
      2  -0.243634D+00 -0.307342D+00  0.939739D+00 -0.925217D+02  0.976940D+01
      3   0.103612D+01  0.250994D+01  0.586950D+01 -0.104571D+03  0.214144D+02
      4   0.163112D+01 -0.561322D+01 -0.535366D+01 -0.437053D+02  0.393059D+02
      5   0.774120D+00 -0.533701D+01 -0.385067D+01  0.358883D+02 -0.716290D+01
      6  -0.131548D+01  0.765298D+01  0.351112D+01 -0.538926D+01  0.466283D+01
               156           157           158           159           160 
      1   0.842620D+01 -0.424288D+02  0.354339D+02 -0.137921D+01  0.626754D+01
      2  -0.903454D+01  0.140156D+02 -0.977319D+01  0.200857D+01 -0.732144D+01
      3   0.608341D+00  0.284132D+02 -0.256607D+02 -0.629365D+00  0.105390D+01
      4  -0.352284D+01  0.549826D+02 -0.386857D+02  0.316830D+01 -0.297689D+01
      5   0.361695D+02 -0.105621D+02  0.807643D+01 -0.121049D+02  0.336552D+02
      6  -0.187231D+01  0.951682D+01 -0.666804D+01  0.543119D+01 -0.438218D+01
               161           162           163           164           165 
      1  -0.900177D+00  0.184976D+02  0.598432D+02 -0.104515D+02  0.163018D+02
      2   0.123910D+01 -0.125754D+02 -0.423782D+02  0.426241D+01 -0.116258D+02
      3  -0.338922D+00 -0.592225D+01 -0.174650D+02  0.618906D+01 -0.467604D+01
      4   0.810344D-01 -0.749778D+01 -0.111148D+02  0.879759D+01  0.144464D+01
      5  -0.855182D+01  0.416901D+01  0.395122D+02 -0.860024D+00  0.202804D+02
      6   0.466074D+01 -0.178813D+01 -0.366766D+01  0.198500D+01  0.103496D+01
               166           167           168           169           170 
      1  -0.205135D+02 -0.513405D+01  0.113111D+00 -0.948966D+01  0.121751D+01
      2   0.115102D+02  0.581930D+00  0.124055D+01  0.128513D+01 -0.145582D+01
      3   0.900332D+01  0.455212D+01 -0.135366D+01  0.820453D+01  0.238310D+00
      4   0.741097D+01  0.975686D+00  0.115620D+02  0.564931D+01  0.489263D+01
      5  -0.944533D+01  0.117418D+02 -0.331846D+01  0.144187D+02  0.438639D+01
      6   0.190198D+01  0.450136D+00  0.114416D+02  0.340717D+01  0.105762D+02
               171           172           173           174           175 
      1  -0.353363D+02 -0.527812D+02  0.816220D+01  0.703336D+01  0.159390D+02
      2  -0.136798D+02  0.338961D+02 -0.379879D+01  0.633516D+01 -0.108964D+02
      3   0.490161D+02  0.188851D+02 -0.436340D+01 -0.133685D+02 -0.504259D+01
      4   0.691979D+01  0.766804D+01 -0.511168D+01 -0.147272D+01 -0.954955D+00
      5   0.467769D+02 -0.292265D+02  0.106490D+01 -0.177890D+02  0.813344D+01
      6   0.428582D+01  0.287424D+01 -0.410728D+01 -0.219922D+01 -0.728309D+00
               176           177           178           179           180 
      1  -0.743315D+01 -0.213575D+01 -0.109182D+02  0.164331D+00 -0.115963D+02
      2   0.417831D+01 -0.147765D+01  0.141062D+02 -0.641801D+00  0.579581D+01
      3   0.325484D+01  0.361339D+01 -0.318800D+01  0.477470D+00  0.580049D+01
      4   0.285987D+01  0.392671D+01  0.258692D+01 -0.224602D+00  0.146386D+01
      5   0.241004D+01  0.597694D+01 -0.140111D+02  0.102406D+01 -0.315575D+01
      6   0.291120D+01  0.436630D+01 -0.116630D+01  0.143143D+01  0.108933D+01
               181           182           183           184           185 
      1   0.319568D+02  0.523364D+02  0.784707D+00 -0.415335D+02  0.126646D+02
      2  -0.160392D+02 -0.430674D+02 -0.914246D-01  0.334111D+02 -0.193974D+02
      3  -0.159177D+02 -0.926896D+01 -0.693282D+00  0.812241D+01  0.673276D+01
      4  -0.889211D+00  0.421258D+02 -0.332010D+01 -0.504510D+01  0.343459D+02
      5   0.615687D+01 -0.647480D+01  0.173100D+02 -0.476787D+00  0.200764D+01
      6  -0.469804D+01  0.241232D+01 -0.137894D+02  0.148601D+01 -0.176234D+01
               186           187           188           189           190 
      1   0.163208D+01  0.144702D+01 -0.708169D+01  0.488619D+01  0.107277D+03
      2  -0.207213D+01  0.120837D+01  0.375347D+01 -0.841573D+01 -0.534465D+02
      3   0.440049D+00 -0.265539D+01  0.332822D+01  0.352953D+01 -0.538300D+02
      4   0.197537D+01 -0.542021D+01 -0.442306D+00 -0.258644D+02  0.863015D+01
      5  -0.961884D+01  0.384296D+02 -0.214619D+02 -0.422068D+01  0.527308D+01
      6   0.295227D+01 -0.252463D+02  0.152047D+02  0.427020D+01 -0.157822D+01
               191           192           193           194           195 
      1  -0.500871D+00 -0.485230D+01 -0.411264D+02 -0.372197D+02  0.142659D+01
      2  -0.125246D+02  0.406017D+00  0.735301D+01  0.427355D+02  0.117480D+01
      3   0.130255D+02  0.444629D+01  0.337734D+02 -0.551583D+01 -0.260139D+01
      4   0.248591D+02 -0.163713D+00 -0.440463D+02 -0.615198D+02  0.164464D+01
      5   0.717908D+00  0.883450D+01 -0.110834D+01 -0.876650D-01 -0.166698D+01
      6   0.111893D+01 -0.262687D+01  0.274701D+01  0.868868D+00 -0.894942D+01
               196           197           198           199           200 
      1  -0.101377D+01 -0.195894D+01  0.243426D+02 -0.108980D+03 -0.209742D+02
      2   0.769820D+00  0.238467D+01 -0.218489D+02  0.374238D+02  0.221292D+02
      3   0.243950D+00 -0.425721D+00 -0.249369D+01  0.715563D+02 -0.115493D+01
      4  -0.315749D+01 -0.296692D+01  0.474849D+00 -0.342700D+02 -0.311795D+02
      5   0.534776D+02 -0.448025D+01 -0.435478D+01  0.202831D+01  0.309169D+01
      6  -0.863093D+00  0.484835D+01 -0.543758D+00  0.424362D+01  0.701687D+00
               201           202           203           204           205 
      1   0.652293D+01  0.806559D+02  0.167782D+02 -0.363324D+01  0.992624D+01
      2  -0.249540D+01 -0.482542D+02 -0.252020D+02  0.178108D+01 -0.464159D+01
      3  -0.402753D+01 -0.324017D+02  0.842381D+01  0.185215D+01 -0.528464D+01
      4   0.343967D+01  0.309076D+02  0.224786D+02 -0.191348D+01  0.544470D+01
      5   0.533025D+01 -0.760864D+00 -0.520511D+00  0.147087D+02  0.266858D+01
      6   0.249025D+00 -0.204029D+01 -0.766399D+00  0.952685D+01  0.274373D+01
               206           207           208           209           210 
      1   0.503445D+01 -0.159161D+02  0.435462D+02 -0.710261D+01 -0.102086D+01
      2  -0.390212D+01 -0.256465D+01 -0.271170D+02  0.701232D+01  0.277817D+01
      3  -0.113233D+01  0.184808D+02 -0.164293D+02  0.902971D-01 -0.175731D+01
      4   0.308074D+01  0.177155D+02 -0.155378D+02  0.566796D+01  0.586011D+00
      5   0.219915D+02  0.346461D+01 -0.590172D+01  0.728334D-01  0.179101D+02
      6   0.995443D+01 -0.235437D+00  0.984734D+00 -0.140913D+01  0.336267D+01
               211           212           213           214           215 
      1  -0.118726D+02  0.697153D+01  0.349420D+01 -0.165555D+01 -0.444654D-01
      2   0.811438D+01 -0.394048D+01 -0.159794D+01  0.227783D+01 -0.694002D+00
      3   0.375817D+01 -0.303105D+01 -0.189627D+01 -0.622282D+00  0.738467D+00
      4   0.347816D+02 -0.144852D+02 -0.190821D+01  0.124536D+01 -0.200591D+00
      5   0.275767D+01 -0.352568D+00  0.176381D+02  0.114274D+02 -0.478463D+01
      6  -0.525932D+00  0.829970D-01  0.140411D+02 -0.157603D+01  0.395988D+01
               216           217           218           219           220 
      1   0.511825D+01 -0.907387D+02 -0.505577D+00  0.129044D+02  0.123869D+02
      2  -0.244170D+01  0.517148D+02  0.379197D+01 -0.713809D+01 -0.285751D+01
      3  -0.267655D+01  0.390238D+02 -0.328639D+01 -0.576628D+01 -0.952940D+01
      4  -0.610096D+01  0.690964D+01  0.275462D+02 -0.328046D+01 -0.752009D+01
      5  -0.292890D+01  0.116164D+02 -0.349673D+01  0.198192D+02 -0.650046D+01
      6   0.616011D+00  0.259664D+00 -0.276990D+01  0.845627D+01 -0.192493D+01
               221           222           223           224           225 
      1   0.158756D+02 -0.108114D+02  0.894725D+01 -0.678214D+01  0.230891D+02
      2  -0.754548D+01  0.338410D+01 -0.530680D+01  0.229670D+01 -0.186472D+02
      3  -0.833010D+01  0.742726D+01 -0.364045D+01  0.448544D+01 -0.444189D+01
      4   0.224597D+01  0.391674D+00 -0.536399D+01 -0.232940D+01 -0.431070D+02
      5   0.626752D-01 -0.685460D+02 -0.110291D+02 -0.458153D+02 -0.767496D+01
      6   0.141774D+01 -0.283094D+02 -0.112475D+02 -0.214618D+02  0.309049D+00
               226           227           228           229           230 
      1  -0.612569D+01 -0.157153D+02  0.516112D+00 -0.461743D+01 -0.580985D+02
      2   0.783436D+01  0.173743D+02 -0.311688D+00  0.461681D+01  0.765833D+02
      3  -0.170867D+01 -0.165902D+01 -0.204424D+00  0.620644D-03 -0.184848D+02
      4   0.530681D+00  0.510857D+01  0.245140D+00  0.324382D+01 -0.225162D+02
      5   0.412474D+00  0.688722D+00  0.118595D+01  0.121423D+00  0.213425D+01
      6  -0.281576D+00 -0.916720D+00  0.178447D+01  0.160565D+00 -0.997881D+00
               231           232           233           234           235 
      1  -0.605236D+00  0.795077D+00  0.146258D+00 -0.749020D+00  0.376960D+02
      2   0.713225D+00 -0.548562D+00  0.173829D+00  0.166295D+01 -0.717223D+01
      3  -0.107989D+00 -0.246516D+00 -0.320087D+00 -0.913929D+00 -0.305238D+02
      4   0.172572D-01  0.198520D-01 -0.768929D+00  0.855131D+00 -0.546227D+02
      5  -0.181587D+01  0.241217D+01  0.441206D+00 -0.313393D+00 -0.380024D+01
      6   0.744898D+01 -0.560067D+00  0.312159D+01  0.761484D-01  0.293004D+01
               236           237           238           239           240 
      1  -0.199753D+02 -0.264200D+01 -0.180071D+02  0.928918D+01  0.874788D+00
      2  -0.152469D+01  0.699414D+00 -0.815713D+01  0.165686D+02  0.900534D+00
      3   0.215000D+02  0.194259D+01  0.261643D+02 -0.258577D+02 -0.177532D+01
      4   0.435702D+02  0.460334D+01  0.516203D+02 -0.565737D+02 -0.463002D+01
      5   0.241115D+01  0.668892D+01  0.242600D+01 -0.213221D+01 -0.611693D+01
      6  -0.219192D+01 -0.379642D+01 -0.245966D+01  0.294998D+01  0.538827D+01
               241           242           243           244           245 
      1  -0.374041D+01  0.165420D+01 -0.442696D+00  0.929697D+01  0.103160D+02
      2   0.590495D+00  0.439458D+00  0.136187D+01 -0.242334D+01 -0.340057D+01
      3   0.314991D+01 -0.209365D+01 -0.919170D+00 -0.687363D+01 -0.691541D+01
      4   0.575850D+01 -0.472234D+01 -0.321674D+01  0.159964D+02  0.134779D+02
      5  -0.737357D+00 -0.215667D+01 -0.912100D+00 -0.263244D+00 -0.431653D+00
      6   0.116795D+01  0.231326D+01  0.579532D+00 -0.157876D+00 -0.429271D+00
               246           247           248           249           250 
      1  -0.481274D+00  0.985526D+01 -0.688647D+01 -0.567489D+00 -0.471005D+00
      2   0.260745D+00  0.196808D+01  0.199272D+02  0.299259D-01  0.313725D+00
      3   0.220529D+00 -0.118233D+02 -0.130408D+02  0.537563D+00  0.157279D+00
      4  -0.912008D+00  0.249165D+02  0.406524D+02 -0.584877D+00 -0.677090D+00
      5   0.106422D+01  0.124590D+00  0.149380D+01  0.324170D+01  0.299522D+00
      6   0.227886D+00 -0.123089D-01  0.147049D+00  0.414867D+01  0.152298D+01
               251           252           253           254           255 
      1  -0.118508D+01 -0.148524D+01  0.416222D+01  0.356023D+01  0.847127D+01
      2   0.696185D+00  0.220949D+01 -0.214978D+01 -0.302801D+01 -0.400280D+01
      3   0.488897D+00 -0.724254D+00 -0.201243D+01 -0.532230D+00 -0.446847D+01
      4  -0.341122D-01 -0.150384D+00 -0.172199D+01 -0.357296D+01  0.165412D+01
      5  -0.107652D+01 -0.604995D-01  0.630248D+01  0.181458D+00 -0.733612D+01
      6   0.129186D+01  0.881355D-01  0.202103D+01 -0.643948D+00 -0.431110D+01
               256           257           258           259           260 
      1   0.665812D+01 -0.283476D+00  0.896366D-01  0.281034D+02  0.641409D+01
      2   0.164314D+00  0.820124D+01  0.520192D+01 -0.131335D+02  0.120163D+01
      3  -0.682243D+01 -0.791776D+01 -0.529156D+01 -0.149699D+02 -0.761571D+01
      4   0.224188D+02  0.291895D+02  0.208194D+02  0.286784D+02  0.281792D+02
      5   0.138053D+02  0.217237D+02  0.274084D+02  0.280612D+02  0.307932D+02
      6   0.628071D+01  0.106823D+02  0.132697D+02  0.118768D+02  0.149821D+02
               261           262           263           264           265 
      1  -0.413466D+01  0.208984D+03  0.147442D+02 -0.132502D+02 -0.118689D+02
      2   0.347499D+00 -0.108177D+03 -0.479728D+01  0.774948D+01  0.959643D+01
      3   0.378716D+01 -0.100806D+03 -0.994688D+01  0.550074D+01  0.227246D+01
      4   0.289641D+02  0.386208D+02  0.181119D+02 -0.240187D+01  0.176185D+02
      5   0.529310D+02 -0.158182D+02 -0.106406D+01  0.177847D+02  0.744842D+00
      6   0.190401D+02 -0.232144D+01 -0.795064D+00  0.288811D+01 -0.766994D+00
               266           267           268           269           270 
      1   0.151473D+02  0.113950D+01 -0.137495D+02 -0.462949D+00  0.147992D+02
      2  -0.726766D+01 -0.884765D+00  0.831462D+01  0.137863D+00 -0.836820D+01
      3  -0.787963D+01 -0.254737D+00  0.543491D+01  0.325085D+00 -0.643096D+01
      4  -0.191248D+00 -0.148111D+01 -0.259139D+01 -0.154672D+01  0.617547D+01
      5  -0.165304D+01  0.900701D+00  0.232759D+02  0.525338D+01 -0.418545D+01
      6  -0.160081D+00  0.188139D+01  0.323848D+01  0.301481D+01 -0.711690D+00
               271           272           273           274           275 
      1  -0.356339D+01  0.410171D+01 -0.123908D+02  0.482567D+01 -0.658659D+01
      2   0.120925D+01 -0.405431D+01  0.536545D+01 -0.259737D+00  0.109718D+02
      3   0.235415D+01 -0.474015D-01  0.702538D+01 -0.456594D+01 -0.438526D+01
      4  -0.592600D+01 -0.795966D+01  0.311265D+01  0.191431D+02  0.301167D+02
      5  -0.447446D+01  0.426583D+01 -0.126131D+02 -0.104490D+02 -0.221216D+02
      6  -0.961148D+00  0.386574D+01 -0.719424D+01 -0.600031D+01 -0.138873D+02
               276           277           278           279 
      1   0.709539D+01 -0.220992D+02  0.186632D+01 -0.122503D+02
      2  -0.751983D+01  0.110413D+02 -0.346651D+01  0.188432D+01
      3   0.424433D+00  0.110579D+02  0.160020D+01  0.103660D+02
      4  -0.225986D+02 -0.211113D+02 -0.256622D+02  0.291947D+02
      5   0.285637D+02  0.224280D+02  0.300600D+02 -0.466318D+02
      6   0.158576D+02  0.107494D+02  0.169424D+02 -0.208962D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:38:30 2021, MaxMem=  5368709120 cpu:           45264.4 elap:            5672.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.19495 -19.19420 -19.13665 -10.31788 -10.26262
 Alpha  occ. eigenvalues --  -10.25125 -10.21849 -10.21328 -10.21197 -10.20875
 Alpha  occ. eigenvalues --  -10.20598 -10.20544 -10.20335 -10.20265 -10.20182
 Alpha  occ. eigenvalues --  -10.19791 -10.18397  -1.10999  -1.09012  -1.03005
 Alpha  occ. eigenvalues --   -0.89830  -0.85468  -0.81081  -0.79129  -0.76200
 Alpha  occ. eigenvalues --   -0.74191  -0.71528  -0.66794  -0.64515  -0.62456
 Alpha  occ. eigenvalues --   -0.61957  -0.60359  -0.55132  -0.54203  -0.53452
 Alpha  occ. eigenvalues --   -0.50543  -0.48699  -0.48628  -0.48141  -0.46633
 Alpha  occ. eigenvalues --   -0.46138  -0.44830  -0.43964  -0.43105  -0.42676
 Alpha  occ. eigenvalues --   -0.42114  -0.41423  -0.40273  -0.39657  -0.37651
 Alpha  occ. eigenvalues --   -0.37017  -0.36664  -0.36481  -0.35215  -0.34308
 Alpha  occ. eigenvalues --   -0.32675  -0.32073  -0.30489  -0.27865  -0.25136
 Alpha  occ. eigenvalues --   -0.22865
 Alpha virt. eigenvalues --   -0.05898  -0.03204  -0.01871  -0.01460  -0.01043
 Alpha virt. eigenvalues --   -0.00278   0.00076   0.00952   0.01007   0.01360
 Alpha virt. eigenvalues --    0.01976   0.02027   0.02757   0.02950   0.03728
 Alpha virt. eigenvalues --    0.04673   0.04904   0.05566   0.05837   0.06134
 Alpha virt. eigenvalues --    0.06305   0.06786   0.07408   0.07563   0.07873
 Alpha virt. eigenvalues --    0.08120   0.08315   0.08846   0.08939   0.09218
 Alpha virt. eigenvalues --    0.09337   0.09620   0.09763   0.10103   0.10634
 Alpha virt. eigenvalues --    0.11042   0.11093   0.11370   0.11674   0.11975
 Alpha virt. eigenvalues --    0.12179   0.12300   0.12764   0.13001   0.13281
 Alpha virt. eigenvalues --    0.13512   0.13896   0.14299   0.14379   0.14923
 Alpha virt. eigenvalues --    0.15149   0.15538   0.15923   0.16687   0.17006
 Alpha virt. eigenvalues --    0.17587   0.17900   0.18387   0.18902   0.18991
 Alpha virt. eigenvalues --    0.19379   0.19872   0.20416   0.20610   0.20792
 Alpha virt. eigenvalues --    0.21168   0.21513   0.21970   0.22102   0.22347
 Alpha virt. eigenvalues --    0.22783   0.23080   0.23433   0.23584   0.23935
 Alpha virt. eigenvalues --    0.24185   0.24345   0.24878   0.25055   0.25459
 Alpha virt. eigenvalues --    0.25806   0.25891   0.26331   0.26888   0.26960
 Alpha virt. eigenvalues --    0.27201   0.27647   0.28058   0.28289   0.28399
 Alpha virt. eigenvalues --    0.29095   0.29267   0.29433   0.29695   0.29944
 Alpha virt. eigenvalues --    0.30693   0.30857   0.31102   0.31431   0.32026
 Alpha virt. eigenvalues --    0.32279   0.32699   0.32956   0.33366   0.33441
 Alpha virt. eigenvalues --    0.34295   0.34542   0.35197   0.35571   0.35600
 Alpha virt. eigenvalues --    0.36217   0.36797   0.37327   0.37516   0.37808
 Alpha virt. eigenvalues --    0.37940   0.38662   0.39071   0.39258   0.39791
 Alpha virt. eigenvalues --    0.40273   0.40782   0.41134   0.41455   0.41816
 Alpha virt. eigenvalues --    0.42246   0.42412   0.43414   0.43845   0.44622
 Alpha virt. eigenvalues --    0.44743   0.45597   0.46236   0.46955   0.47097
 Alpha virt. eigenvalues --    0.47308   0.47747   0.48407   0.49250   0.49892
 Alpha virt. eigenvalues --    0.50088   0.50483   0.51178   0.51540   0.51830
 Alpha virt. eigenvalues --    0.52116   0.52341   0.53065   0.53672   0.53874
 Alpha virt. eigenvalues --    0.54075   0.54575   0.55340   0.55577   0.56144
 Alpha virt. eigenvalues --    0.56611   0.56842   0.57443   0.57729   0.57816
 Alpha virt. eigenvalues --    0.58689   0.59021   0.59369   0.59980   0.60146
 Alpha virt. eigenvalues --    0.60660   0.61042   0.61317   0.61769   0.62216
 Alpha virt. eigenvalues --    0.62532   0.62749   0.63487   0.63646   0.64320
 Alpha virt. eigenvalues --    0.64659   0.64814   0.65537   0.66168   0.66462
 Alpha virt. eigenvalues --    0.67040   0.67081   0.67551   0.68125   0.68702
 Alpha virt. eigenvalues --    0.68918   0.69292   0.69908   0.70480   0.70851
 Alpha virt. eigenvalues --    0.71435   0.71850   0.72487   0.73038   0.73645
 Alpha virt. eigenvalues --    0.73680   0.74322   0.74765   0.75103   0.75663
 Alpha virt. eigenvalues --    0.76283   0.76433   0.77016   0.77515   0.77685
 Alpha virt. eigenvalues --    0.78647   0.78850   0.79660   0.80171   0.80406
 Alpha virt. eigenvalues --    0.81199   0.82115   0.82939   0.83216   0.83536
 Alpha virt. eigenvalues --    0.84119   0.84458   0.85051   0.85587   0.87302
 Alpha virt. eigenvalues --    0.87895   0.88824   0.89810   0.90241   0.90781
 Alpha virt. eigenvalues --    0.91883   0.92714   0.93767   0.94261   0.94864
 Alpha virt. eigenvalues --    0.95917   0.97254   0.97957   0.99361   1.00380
 Alpha virt. eigenvalues --    1.01658   1.02323   1.02595   1.03135   1.04337
 Alpha virt. eigenvalues --    1.05351   1.05899   1.06209   1.07249   1.08267
 Alpha virt. eigenvalues --    1.09880   1.10230   1.11607   1.11995   1.12830
 Alpha virt. eigenvalues --    1.13959   1.14720   1.15832   1.16823   1.17084
 Alpha virt. eigenvalues --    1.18216   1.19085   1.20333   1.22031   1.22859
 Alpha virt. eigenvalues --    1.23236   1.24416   1.25314   1.26512   1.27712
 Alpha virt. eigenvalues --    1.27848   1.29952   1.30716   1.31526   1.31750
 Alpha virt. eigenvalues --    1.32987   1.33695   1.34103   1.35191   1.35817
 Alpha virt. eigenvalues --    1.37337   1.37766   1.39577   1.40054   1.40357
 Alpha virt. eigenvalues --    1.40767   1.41623   1.42091   1.42693   1.44177
 Alpha virt. eigenvalues --    1.45398   1.45929   1.47293   1.47480   1.48672
 Alpha virt. eigenvalues --    1.49555   1.50680   1.50864   1.50994   1.52315
 Alpha virt. eigenvalues --    1.52626   1.52998   1.54305   1.54957   1.56224
 Alpha virt. eigenvalues --    1.57059   1.57332   1.58833   1.59192   1.60067
 Alpha virt. eigenvalues --    1.60214   1.60909   1.61481   1.62304   1.62693
 Alpha virt. eigenvalues --    1.63039   1.64289   1.65410   1.65868   1.66920
 Alpha virt. eigenvalues --    1.67547   1.67841   1.69038   1.69791   1.70753
 Alpha virt. eigenvalues --    1.71684   1.72131   1.73110   1.73820   1.74511
 Alpha virt. eigenvalues --    1.74964   1.75785   1.77529   1.78806   1.79109
 Alpha virt. eigenvalues --    1.80158   1.80539   1.81974   1.83486   1.83855
 Alpha virt. eigenvalues --    1.84645   1.86436   1.87529   1.88263   1.88778
 Alpha virt. eigenvalues --    1.89481   1.90543   1.91116   1.91910   1.92425
 Alpha virt. eigenvalues --    1.93937   1.94341   1.94884   1.96509   1.96754
 Alpha virt. eigenvalues --    1.97116   1.97467   1.98857   1.99241   1.99690
 Alpha virt. eigenvalues --    2.00900   2.01825   2.02232   2.02711   2.04216
 Alpha virt. eigenvalues --    2.04821   2.05195   2.06287   2.07254   2.08281
 Alpha virt. eigenvalues --    2.09370   2.10444   2.10964   2.12397   2.12924
 Alpha virt. eigenvalues --    2.15074   2.15748   2.16023   2.16797   2.18816
 Alpha virt. eigenvalues --    2.19624   2.20189   2.21295   2.23474   2.23840
 Alpha virt. eigenvalues --    2.24913   2.25994   2.28124   2.29640   2.31328
 Alpha virt. eigenvalues --    2.32383   2.33083   2.34252   2.35192   2.35754
 Alpha virt. eigenvalues --    2.36366   2.37818   2.40102   2.40840   2.43283
 Alpha virt. eigenvalues --    2.44424   2.47859   2.50033   2.50908   2.52560
 Alpha virt. eigenvalues --    2.54391   2.55376   2.57536   2.59129   2.59700
 Alpha virt. eigenvalues --    2.60531   2.62941   2.63785   2.68146   2.68714
 Alpha virt. eigenvalues --    2.70912   2.72017   2.74799   2.75369   2.78994
 Alpha virt. eigenvalues --    2.80075   2.82822   2.85867   2.86425   2.91288
 Alpha virt. eigenvalues --    2.91879   2.92875   2.95259   3.05517   3.06127
 Alpha virt. eigenvalues --    3.10728   3.16616   3.24053   3.29437   3.33670
 Alpha virt. eigenvalues --    3.35908   3.37256   3.39981   3.41003   3.41470
 Alpha virt. eigenvalues --    3.44180   3.46528   3.47950   3.49972   3.50738
 Alpha virt. eigenvalues --    3.52393   3.53969   3.58380   3.66955   3.75206
 Alpha virt. eigenvalues --    3.76353   3.79191   3.82284   3.91668   4.01721
 Alpha virt. eigenvalues --    4.38022   4.66021
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   33.462587  -6.624908 -17.893739   5.439851  -4.586460   4.922101
     2  C   -6.624908  24.212923   6.592687  -3.169337   5.909652 -11.315708
     3  C  -17.893739   6.592687  42.669484 -14.780357   0.539845  -2.932444
     4  C    5.439851  -3.169337 -14.780357  29.138933  -8.417840   3.276726
     5  C   -4.586460   5.909652   0.539845  -8.417840  35.016801 -21.662698
     6  C    4.922101 -11.315708  -2.932444   3.276726 -21.662698  39.085695
     7  C  -15.698810   1.437727  -3.480790   0.540048  -1.924633   1.736678
     8  H    1.937006  -1.014344  -6.047715   1.679653   0.326569  -0.066477
     9  H   -0.082025  -0.752108   0.531061   0.254845  -4.517609   2.584583
    10  H   -0.739333   1.104672   0.018273  -0.788970   3.714251  -5.824348
    11  C    0.634804  -1.634212  -0.471664  -7.178917  -2.210811   2.601522
    12  C    0.171665  -0.153120  -0.236989  -0.169488  -0.470131   0.151162
    13  C   -0.043343  -0.069900  -0.389473   0.360580  -0.502808  -0.008785
    14  H   -0.097833   0.008653  -0.182214   1.305791  -0.121587  -0.064168
    15  H    0.034759   0.039694  -0.335430   1.323384  -0.031047  -0.094993
    16  H   -0.046481  -0.008708   0.329108  -1.023696   0.109738   0.066444
    17  H    0.039287  -0.091875   0.041020  -0.373524  -0.233982   0.171723
    18  O    0.003234   0.011843   0.003927   0.140212   0.060431  -0.008242
    19  O    0.037905  -0.002551  -0.028732  -0.140210   0.021223   0.011221
    20  H    0.005269  -0.050185  -0.009943   0.142478  -0.106766   0.060689
    21  C    8.442233  -5.714838  -1.571277   0.487087   0.566451  -1.128287
    22  C   -7.337608   1.573096   0.568192  -0.445404   0.760869  -0.357961
    23  C    3.142531  -5.164280   0.624284  -1.230443   3.371388  -6.884470
    24  O    0.206966   0.070805  -0.053446   0.048235  -0.043642  -0.043339
    25  C   -0.267197   0.012441  -0.014758   0.000503   0.042575   0.010994
    26  H    2.423956  -0.288829   0.070750   0.046192   0.053331  -0.141863
    27  H   -0.761279   0.261897  -0.090576   0.006595   0.010253   0.071904
    28  H   -0.444407   0.461071   0.010645  -0.036642   0.119399   0.279097
    29  H   -0.040531   0.125977  -0.000718   0.002645  -0.013418  -0.009316
    30  H    0.031125  -0.155040   0.001917  -0.002329   0.009534   0.011403
    31  H   -0.039317   0.075919   0.002437  -0.000867  -0.007447  -0.005910
               7          8          9         10         11         12
     1  C  -15.698810   1.937006  -0.082025  -0.739333   0.634804   0.171665
     2  C    1.437727  -1.014344  -0.752108   1.104672  -1.634212  -0.153120
     3  C   -3.480790  -6.047715   0.531061   0.018273  -0.471664  -0.236989
     4  C    0.540048   1.679653   0.254845  -0.788970  -7.178917  -0.169488
     5  C   -1.924633   0.326569  -4.517609   3.714251  -2.210811  -0.470131
     6  C    1.736678  -0.066477   2.584583  -5.824348   2.601522   0.151162
     7  C   42.532351   0.932801   0.081874  -0.150793  -0.286721   0.103003
     8  H    0.932801   4.442316  -0.052081   0.010130   0.314712   0.049227
     9  H    0.081874  -0.052081   4.500929  -0.476282   0.233943   0.067988
    10  H   -0.150793   0.010130  -0.476282   4.180913  -0.060417   0.015483
    11  C   -0.286721   0.314712   0.233943  -0.060417  16.608831   0.314593
    12  C    0.103003   0.049227   0.067988   0.015483   0.314593   4.762063
    13  C    0.059230   0.012287   0.082615   0.006460  -1.385327  -0.142096
    14  H   -0.017098  -0.235183  -0.008460   0.002101  -1.853199   0.105408
    15  H    0.005004   0.005682   0.024221  -0.002180  -0.580823  -0.152490
    16  H   -0.031111   0.008856   0.019973  -0.001748   0.765817  -0.027495
    17  H    0.020589  -0.000718  -0.104903   0.013118   0.044848   0.446049
    18  O   -0.001066   0.003991  -0.001886   0.000089  -0.293116   0.052741
    19  O    0.002957   0.000147   0.012403  -0.001147   0.337076  -0.015600
    20  H    0.032772  -0.023228   0.007842  -0.003437  -0.137473   0.000403
    21  C  -21.119355   0.199039   0.037079   0.013996   0.175468  -0.006919
    22  C    9.272519   0.048583  -0.040703   0.212741  -0.068016   0.007656
    23  C   -6.626124  -0.080597  -0.259906   1.164939  -0.148132  -0.061262
    24  O   -0.320998  -0.000722  -0.000581   0.003118   0.000226   0.000011
    25  C    0.492266   0.000214  -0.002051   0.017384  -0.003123   0.000339
    26  H   -5.609401  -0.283014   0.004693  -0.003980  -0.016035   0.001319
    27  H    2.342989  -0.005358  -0.001580   0.007817   0.003326  -0.000427
    28  H   -0.214797   0.011198   0.022616  -0.320578   0.005818  -0.001298
    29  H    0.048434  -0.000498  -0.000883   0.004823  -0.000061   0.000087
    30  H   -0.007941   0.000347   0.000104  -0.001660  -0.000354   0.000024
    31  H    0.046551  -0.000465  -0.000609   0.003771  -0.000122  -0.000021
              13         14         15         16         17         18
     1  C   -0.043343  -0.097833   0.034759  -0.046481   0.039287   0.003234
     2  C   -0.069900   0.008653   0.039694  -0.008708  -0.091875   0.011843
     3  C   -0.389473  -0.182214  -0.335430   0.329108   0.041020   0.003927
     4  C    0.360580   1.305791   1.323384  -1.023696  -0.373524   0.140212
     5  C   -0.502808  -0.121587  -0.031047   0.109738  -0.233982   0.060431
     6  C   -0.008785  -0.064168  -0.094993   0.066444   0.171723  -0.008242
     7  C    0.059230  -0.017098   0.005004  -0.031111   0.020589  -0.001066
     8  H    0.012287  -0.235183   0.005682   0.008856  -0.000718   0.003991
     9  H    0.082615  -0.008460   0.024221   0.019973  -0.104903  -0.001886
    10  H    0.006460   0.002101  -0.002180  -0.001748   0.013118   0.000089
    11  C   -1.385327  -1.853199  -0.580823   0.765817   0.044848  -0.293116
    12  C   -0.142096   0.105408  -0.152490  -0.027495   0.446049   0.052741
    13  C    7.556998   0.103651  -0.002211  -0.108308  -0.023921   0.082737
    14  H    0.103651   2.607252  -0.030912  -0.110869   0.128778   0.040484
    15  H   -0.002211  -0.030912   2.103277  -0.470727  -0.477630  -0.008474
    16  H   -0.108308  -0.110869  -0.470727   2.131682  -0.315485   0.021230
    17  H   -0.023921   0.128778  -0.477630  -0.315485   1.943821   0.032767
    18  O    0.082737   0.040484  -0.008474   0.021230   0.032767   8.485522
    19  O   -0.420379  -0.001112  -0.007822   0.008922   0.011354  -0.073025
    20  H    0.028542   0.023225  -0.000026  -0.001905  -0.000460   0.007773
    21  C    0.007010   0.017148   0.000351  -0.003592  -0.003871  -0.000143
    22  C   -0.002060  -0.004093   0.000124   0.000445   0.001900   0.000047
    23  C   -0.059850   0.000234  -0.002658   0.008713  -0.017178   0.001439
    24  O   -0.000006  -0.000033  -0.000003   0.000003   0.000003   0.000000
    25  C    0.000002  -0.000133  -0.000004  -0.000008   0.000197   0.000003
    26  H    0.004276   0.015959   0.000638  -0.002789  -0.000119  -0.000005
    27  H   -0.000470   0.000165   0.000004   0.000143  -0.000087   0.000012
    28  H   -0.000998  -0.000221   0.000283  -0.000232  -0.001715   0.000044
    29  H   -0.000009   0.000010   0.000001  -0.000003   0.000045   0.000000
    30  H    0.000014  -0.000022   0.000001  -0.000004   0.000010   0.000000
    31  H    0.000015   0.000023  -0.000004   0.000009   0.000018   0.000000
              19         20         21         22         23         24
     1  C    0.037905   0.005269   8.442233  -7.337608   3.142531   0.206966
     2  C   -0.002551  -0.050185  -5.714838   1.573096  -5.164280   0.070805
     3  C   -0.028732  -0.009943  -1.571277   0.568192   0.624284  -0.053446
     4  C   -0.140210   0.142478   0.487087  -0.445404  -1.230443   0.048235
     5  C    0.021223  -0.106766   0.566451   0.760869   3.371388  -0.043642
     6  C    0.011221   0.060689  -1.128287  -0.357961  -6.884470  -0.043339
     7  C    0.002957   0.032772 -21.119355   9.272519  -6.626124  -0.320998
     8  H    0.000147  -0.023228   0.199039   0.048583  -0.080597  -0.000722
     9  H    0.012403   0.007842   0.037079  -0.040703  -0.259906  -0.000581
    10  H   -0.001147  -0.003437   0.013996   0.212741   1.164939   0.003118
    11  C    0.337076  -0.137473   0.175468  -0.068016  -0.148132   0.000226
    12  C   -0.015600   0.000403  -0.006919   0.007656  -0.061262   0.000011
    13  C   -0.420379   0.028542   0.007010  -0.002060  -0.059850  -0.000006
    14  H   -0.001112   0.023225   0.017148  -0.004093   0.000234  -0.000033
    15  H   -0.007822  -0.000026   0.000351   0.000124  -0.002658  -0.000003
    16  H    0.008922  -0.001905  -0.003592   0.000445   0.008713   0.000003
    17  H    0.011354  -0.000460  -0.003871   0.001900  -0.017178   0.000003
    18  O   -0.073025   0.007773  -0.000143   0.000047   0.001439   0.000000
    19  O    8.508049   0.193193  -0.000169   0.000171  -0.002033  -0.000011
    20  H    0.193193   0.695936  -0.010670   0.006962  -0.013818   0.000039
    21  C   -0.000169  -0.010670  32.786154  -9.575280   3.536806   0.107037
    22  C    0.000171   0.006962  -9.575280  19.405136  -8.111254  -1.047765
    23  C   -0.002033  -0.013818   3.536806  -8.111254  23.457095   0.703311
    24  O   -0.000011   0.000039   0.107037  -1.047765   0.703311   9.382677
    25  C    0.000042   0.000047  -0.598082   0.083125   0.009067   0.193836
    26  H    0.000433  -0.000827   3.019853  -1.186349   0.376490  -0.006171
    27  H   -0.000021  -0.000091  -4.034611   1.548438  -0.286476  -0.147289
    28  H    0.000808  -0.000780   0.480084   1.131699  -3.566973  -0.202368
    29  H   -0.000021   0.000086  -0.048311  -0.046376  -0.032623   0.119444
    30  H    0.000008  -0.000030  -0.006035   0.276838   0.025298  -0.464342
    31  H   -0.000017   0.000037  -0.022729  -0.037857  -0.014839   0.114885
              25         26         27         28         29         30
     1  C   -0.267197   2.423956  -0.761279  -0.444407  -0.040531   0.031125
     2  C    0.012441  -0.288829   0.261897   0.461071   0.125977  -0.155040
     3  C   -0.014758   0.070750  -0.090576   0.010645  -0.000718   0.001917
     4  C    0.000503   0.046192   0.006595  -0.036642   0.002645  -0.002329
     5  C    0.042575   0.053331   0.010253   0.119399  -0.013418   0.009534
     6  C    0.010994  -0.141863   0.071904   0.279097  -0.009316   0.011403
     7  C    0.492266  -5.609401   2.342989  -0.214797   0.048434  -0.007941
     8  H    0.000214  -0.283014  -0.005358   0.011198  -0.000498   0.000347
     9  H   -0.002051   0.004693  -0.001580   0.022616  -0.000883   0.000104
    10  H    0.017384  -0.003980   0.007817  -0.320578   0.004823  -0.001660
    11  C   -0.003123  -0.016035   0.003326   0.005818  -0.000061  -0.000354
    12  C    0.000339   0.001319  -0.000427  -0.001298   0.000087   0.000024
    13  C    0.000002   0.004276  -0.000470  -0.000998  -0.000009   0.000014
    14  H   -0.000133   0.015959   0.000165  -0.000221   0.000010  -0.000022
    15  H   -0.000004   0.000638   0.000004   0.000283   0.000001   0.000001
    16  H   -0.000008  -0.002789   0.000143  -0.000232  -0.000003  -0.000004
    17  H    0.000197  -0.000119  -0.000087  -0.001715   0.000045   0.000010
    18  O    0.000003  -0.000005   0.000012   0.000044   0.000000   0.000000
    19  O    0.000042   0.000433  -0.000021   0.000808  -0.000021   0.000008
    20  H    0.000047  -0.000827  -0.000091  -0.000780   0.000086  -0.000030
    21  C   -0.598082   3.019853  -4.034611   0.480084  -0.048311  -0.006035
    22  C    0.083125  -1.186349   1.548438   1.131699  -0.046376   0.276838
    23  C    0.009067   0.376490  -0.286476  -3.566973  -0.032623   0.025298
    24  O    0.193836  -0.006171  -0.147289  -0.202368   0.119444  -0.464342
    25  C    4.078092  -0.011105   0.062588  -0.034103   0.267678   0.093019
    26  H   -0.011105   3.888051  -0.259990   0.012723  -0.001540   0.000264
    27  H    0.062588  -0.259990   3.285369  -0.060406   0.013346  -0.013696
    28  H   -0.034103   0.012723  -0.060406   4.727542  -0.101176   0.058122
    29  H    0.267678  -0.001540   0.013346  -0.101176   1.655063  -0.602961
    30  H    0.093019   0.000264  -0.013696   0.058122  -0.602961   2.965170
    31  H    0.258462  -0.001546   0.013740  -0.090858  -0.147800  -0.599493
              31
     1  C   -0.039317
     2  C    0.075919
     3  C    0.002437
     4  C   -0.000867
     5  C   -0.007447
     6  C   -0.005910
     7  C    0.046551
     8  H   -0.000465
     9  H   -0.000609
    10  H    0.003771
    11  C   -0.000122
    12  C   -0.000021
    13  C    0.000015
    14  H    0.000023
    15  H   -0.000004
    16  H    0.000009
    17  H    0.000018
    18  O    0.000000
    19  O   -0.000017
    20  H    0.000037
    21  C   -0.022729
    22  C   -0.037857
    23  C   -0.014839
    24  O    0.114885
    25  C    0.258462
    26  H   -0.001546
    27  H    0.013740
    28  H   -0.090858
    29  H   -0.147800
    30  H   -0.599493
    31  H    1.648618
 Mulliken charges:
               1
     1  C   -0.232011
     2  C    0.310886
     3  C    2.516631
     4  C   -0.435732
     5  C    0.218571
     6  C    1.507067
     7  C    1.801846
     8  H   -1.172359
     9  H   -1.165104
    10  H   -1.119209
    11  C    0.287540
    12  C    1.188113
    13  C    0.855528
    14  H   -0.631744
    15  H   -0.339987
    16  H   -0.317920
    17  H   -0.250058
    18  O   -0.562572
    19  O   -0.453062
    20  H    0.154345
    21  C   -0.031627
    22  C   -0.637815
    23  C    2.141322
    24  O   -0.619879
    25  C    1.307691
    26  H   -1.105364
    27  H   -0.966229
    28  H   -1.243596
    29  H   -0.191392
    30  H   -0.619292
    31  H   -0.194587
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.232011
     2  C    0.310886
     3  C    1.344272
     4  C   -0.435732
     5  C   -0.946533
     6  C    0.387858
     7  C    0.696481
    11  C   -0.344204
    12  C    0.280148
    13  C    0.855528
    18  O   -0.562572
    19  O   -0.298718
    21  C   -0.997856
    22  C   -0.637815
    23  C    0.897726
    24  O   -0.619879
    25  C    0.302420
 Electronic spatial extent (au):  <R**2>=           5503.1796
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.1883    Y=              0.3582    Z=             -1.6093  Tot=              5.4439
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -117.2921   YY=            -90.7390   ZZ=           -106.1664
   XY=             13.2873   XZ=            -10.2424   YZ=              1.2866
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -12.5597   YY=             13.9935   ZZ=             -1.4339
   XY=             13.2873   XZ=            -10.2424   YZ=              1.2866
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -203.8515  YYY=              1.3903  ZZZ=              4.9900  XYY=             -9.9229
  XXY=             -6.6646  XXZ=            -40.2415  XZZ=             -5.7401  YZZ=              0.0519
  YYZ=              2.3897  XYZ=              5.9414
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6528.9466 YYYY=           -704.3021 ZZZZ=           -499.8582 XXXY=            359.5761
 XXXZ=           -205.0825 YYYX=             -6.7379 YYYZ=              2.5153 ZZZX=             -5.7054
 ZZZY=             -0.0503 XXYY=          -1056.8694 XXZZ=          -1155.8077 YYZZ=           -218.5120
 XXYZ=             14.7981 YYXZ=              1.9317 ZZXY=             12.9567
 N-N= 1.134154638145D+03 E-N=-4.056273808714D+03  KE= 7.634218503257D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:38:31 2021, MaxMem=  5368709120 cpu:               2.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.05154310D+00 1.44098662D-01-6.12924232D-01
 Polarizability= 2.76001193D+02-6.98195046D+00 1.60134810D+02
                -1.23090949D+01 1.86295908D+00 1.11988278D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        6.8533    6.8543       -4.7668   -4.7651
 2     -6.8533   -6.8543       -1.1003   -1.1009      -69.3905  -69.3892
 3      4.7668    4.7651       96.1655   96.1643        1.1005    1.1009
 4      1.1003    1.1009        0.0000    0.0000        4.7662    4.7651
 5    -26.7750  -26.7751       -4.7662   -4.7651        6.8516    6.8543
 6     -1.1005   -1.1009       -6.8516   -6.8543       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000      -20.5628  -20.5628      -14.2954  -14.2954
 2      3.3027    3.3027        0.0000    0.0000      -14.2954  -14.2954
 3      3.3027    3.3027      -20.5628  -20.5628       -0.0000    0.0000
 4    -20.5628  -20.5628       -3.3027   -3.3027     -208.1676 -208.1676
 5     14.2954   14.2954      288.4929  288.4929        3.3027    3.3027
 6    -80.3253  -80.3253      -14.2954  -14.2954       20.5628   20.5628
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0260    0.0000      -27.3018  -27.4171       19.3782   19.0605
 2     27.4146   27.4171        4.2727    4.4037      277.5882  277.5569
 3    -19.1721  -19.0605     -384.8380 -384.6572       -4.2902   -4.4037
 4     -4.3657   -4.4037        0.0030    0.0000      -18.9634  -19.0605
 5    107.1104  107.1003       18.9072   19.0605      -27.5038  -27.4171
 6      4.4214    4.4037       27.6419   27.4171        0.0203    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2668    0.0000       90.5037   90.4808      -23.9529  -23.7735
 2    -90.2819  -90.4808      105.5249  105.1202       -7.9516   -8.1246
 3     24.0987   23.7735        0.5611    0.7935     -104.7193 -105.1202
 4   -104.9485 -105.1202       -0.0899    0.0000       23.8272   23.7735
 5      7.4481    7.3310      -24.1861  -23.7735       90.6668   90.4808
 6    104.9496  105.1202      -90.4393  -90.4808       -0.2257    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1   -112.3450 -112.8727       74.4613   74.6398       13.7734   13.5178
 2   -259.3828 -259.8248      112.9360  113.1417       13.7424   13.5178
 3   -259.3367 -259.8248       74.4630   74.6398       39.8086   39.6365
 4    -38.1362  -38.5019      147.3382  146.9520       -8.0611   -8.2558
 5     26.1584   26.1187        1.6829    1.7020     -146.8566 -146.9520
 6      6.8625    6.5539      -27.2416  -26.1187       38.4654   38.5019
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.4325   -2.8268   -0.0005    0.0007    0.0007    2.9090
 Low frequencies ---   28.5925   40.9996   45.5087
 Diagonal vibrational polarizability:
       64.2976957      99.7890273      83.6611673
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     28.5920                40.9969                45.5086
 Red. masses --      5.3904                 8.0286                 4.5467
 Frc consts  --      0.0026                 0.0080                 0.0055
 IR Inten    --      2.3576                 6.7175                 0.4206
 RamAct Fr= 1--      4.4746                 1.1427                 2.8265
  Dep-P Fr= 1--      0.7498                 0.7115                 0.7475
  Dep-U Fr= 1--      0.8570                 0.8314                 0.8555
 Alpha2 Fr= 1--      0.0000                 0.0008                 0.0001
 Beta2  Fr= 1--      0.6391                 0.1584                 0.4030
 AlphaG Fr= 1--      0.0007                 0.0131                -0.0036
 Gamma2 Fr= 1--      0.5752                -0.8164                 0.9027
 Delta2 Fr= 1--      0.2195                -0.4474                 0.0434
 Raman1 Fr= 1--      17.898                  4.571                 11.306
 ROA1   Fr= 1--      62.246                -92.692                 88.047
 CID1   Fr= 1--       3.478                -20.279                  7.788
 Raman2 Fr= 1--       7.669                  1.900                  4.836
 ROA2   Fr= 1--      12.050                -16.015                 21.317
 CID2   Fr= 1--       1.571                 -8.428                  4.408
 Raman3 Fr= 1--      15.339                  3.800                  9.673
 ROA3   Fr= 1--      62.246                -92.692                 88.047
 CID3   Fr= 1--       4.058                -24.390                  9.103
 RC180  Fr= 1--       0.714                  0.663                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.00    -0.01  -0.02   0.03    -0.00   0.02  -0.12
     2   6    -0.00   0.02   0.09    -0.03  -0.01   0.04     0.01   0.02  -0.08
     3   6    -0.03   0.04   0.03    -0.00  -0.04   0.03    -0.00   0.03  -0.10
     4   6    -0.01   0.05   0.12    -0.01  -0.05   0.04     0.01   0.04  -0.05
     5   6     0.02   0.04   0.21    -0.04  -0.05   0.06     0.02   0.03  -0.05
     6   6     0.02   0.03   0.21    -0.04  -0.03   0.06     0.02   0.02  -0.06
     7   6    -0.05   0.02  -0.12     0.01  -0.00   0.01    -0.01   0.02  -0.16
     8   1    -0.04   0.05  -0.04     0.01  -0.05   0.02    -0.01   0.03  -0.10
     9   1     0.03   0.05   0.29    -0.05  -0.06   0.06     0.03   0.04  -0.02
    10   1     0.04   0.02   0.28    -0.05  -0.03   0.08     0.03   0.02  -0.04
    11   6    -0.01   0.06   0.06    -0.02  -0.06  -0.01     0.01   0.04   0.05
    12   6    -0.12   0.18  -0.03    -0.05  -0.11  -0.01     0.08   0.14   0.04
    13   6     0.06  -0.08  -0.05     0.08   0.06  -0.02    -0.05  -0.06   0.05
    14   1    -0.01   0.05   0.16    -0.03  -0.05  -0.08     0.02   0.04   0.14
    15   1    -0.11   0.16  -0.08    -0.06  -0.11  -0.05     0.09   0.11   0.13
    16   1    -0.17   0.28   0.05    -0.08  -0.15  -0.02     0.14   0.22   0.05
    17   1    -0.15   0.19  -0.14    -0.06  -0.11   0.03     0.05   0.14  -0.05
    18   8     0.03  -0.14  -0.18     0.26   0.48  -0.03    -0.02   0.00   0.08
    19   8     0.17  -0.14   0.02    -0.04  -0.33  -0.03    -0.14  -0.23   0.03
    20   1     0.18  -0.08   0.12    -0.13  -0.59  -0.04    -0.14  -0.24  -0.00
    21   6    -0.05   0.00  -0.15     0.00   0.02  -0.01    -0.01   0.01  -0.10
    22   6    -0.02  -0.01  -0.06    -0.02   0.03  -0.01     0.01   0.00  -0.01
    23   6    -0.00   0.00   0.06    -0.03   0.01   0.02     0.02   0.01  -0.02
    24   8    -0.03  -0.02  -0.11    -0.03   0.05  -0.05     0.02  -0.01   0.08
    25   6    -0.00  -0.03  -0.03    -0.05   0.06  -0.07     0.05  -0.02   0.29
    26   1    -0.07   0.02  -0.19     0.03  -0.01   0.01    -0.02   0.02  -0.21
    27   1    -0.06  -0.01  -0.25     0.01   0.03  -0.03    -0.01   0.00  -0.11
    28   1     0.02  -0.00   0.13    -0.05   0.02   0.03     0.03   0.00   0.04
    29   1     0.05  -0.10   0.02    -0.03   0.06  -0.06    -0.04  -0.12   0.32
    30   1    -0.01  -0.04  -0.10    -0.06   0.09  -0.11     0.06  -0.03   0.39
    31   1    -0.04   0.05   0.03    -0.10   0.05  -0.06     0.15   0.08   0.31
                      4                      5                      6
                      A                      A                      A
 Frequencies --     96.1629               127.4601               139.0871
 Red. masses --      4.0011                 4.4316                 4.0576
 Frc consts  --      0.0218                 0.0424                 0.0462
 IR Inten    --      2.9566                 0.3348                 0.2755
 RamAct Fr= 1--      2.5749                 0.3758                 0.6942
  Dep-P Fr= 1--      0.7094                 0.2710                 0.7462
  Dep-U Fr= 1--      0.8300                 0.4264                 0.8547
 Alpha2 Fr= 1--      0.0018                 0.0042                 0.0000
 Beta2  Fr= 1--      0.3562                 0.0267                 0.0989
 AlphaG Fr= 1--      0.0002                 0.0178                -0.0022
 Gamma2 Fr= 1--     -0.2447                 0.2448                 1.4066
 Delta2 Fr= 1--      0.3284                -0.3355                 1.1610
 Raman1 Fr= 1--      10.300                  1.503                  2.777
 ROA1   Fr= 1--     -12.980                 12.760                172.184
 CID1   Fr= 1--      -1.260                  8.489                 62.005
 Raman2 Fr= 1--       4.274                  0.320                  1.187
 ROA2   Fr= 1--      -8.499                  8.559                 24.470
 CID2   Fr= 1--      -1.989                 26.708                 20.620
 Raman3 Fr= 1--       8.549                  0.641                  2.373
 ROA3   Fr= 1--     -12.980                 12.760                172.184
 CID3   Fr= 1--      -1.518                 19.910                 72.548
 RC180  Fr= 1--       0.660                 -0.147                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.04    -0.02  -0.08  -0.13     0.03  -0.10   0.09
     2   6    -0.03  -0.02  -0.10    -0.04  -0.07  -0.10     0.01  -0.09   0.12
     3   6    -0.00  -0.04   0.13    -0.02  -0.09  -0.08     0.01  -0.09   0.02
     4   6    -0.01  -0.04   0.09    -0.00  -0.08   0.03     0.01  -0.08  -0.07
     5   6    -0.03  -0.03  -0.04    -0.01  -0.08   0.02     0.02  -0.08  -0.06
     6   6    -0.04  -0.02  -0.13    -0.03  -0.07  -0.06     0.02  -0.09   0.06
     7   6    -0.00  -0.02   0.04     0.01  -0.05  -0.13     0.06  -0.06   0.06
     8   1     0.01  -0.04   0.21    -0.03  -0.08  -0.10     0.00  -0.09   0.03
     9   1    -0.04  -0.04  -0.08    -0.01  -0.09   0.08     0.01  -0.08  -0.13
    10   1    -0.05  -0.02  -0.24    -0.02  -0.07  -0.05     0.03  -0.09   0.08
    11   6    -0.01  -0.02   0.06    -0.01   0.01   0.08    -0.01   0.03  -0.04
    12   6    -0.06  -0.01   0.03     0.03   0.16   0.04     0.10   0.21  -0.05
    13   6     0.07   0.02   0.02     0.05   0.02   0.04    -0.04   0.03  -0.03
    14   1    -0.04  -0.02   0.04    -0.10   0.01   0.15    -0.11   0.04   0.05
    15   1    -0.07   0.05  -0.03     0.01   0.27   0.05     0.08   0.30   0.04
    16   1    -0.13  -0.06   0.05    -0.02   0.18   0.08     0.12   0.27  -0.03
    17   1     0.00  -0.02   0.06     0.13   0.16  -0.04     0.19   0.22  -0.18
    18   8     0.07   0.03  -0.04     0.05   0.03  -0.01    -0.04   0.02   0.02
    19   8     0.16   0.08   0.06     0.13   0.06   0.07    -0.09   0.04  -0.05
    20   1     0.15   0.07   0.11     0.12   0.05   0.12    -0.08   0.04  -0.09
    21   6    -0.01  -0.00  -0.04     0.02  -0.02  -0.01     0.05  -0.02  -0.02
    22   6    -0.03   0.00  -0.12    -0.01  -0.01   0.07     0.02  -0.01  -0.01
    23   6    -0.05  -0.00  -0.17    -0.05  -0.04  -0.03    -0.01  -0.05   0.12
    24   8    -0.03   0.02  -0.12    -0.00   0.06   0.24    -0.00   0.08  -0.17
    25   6    -0.03   0.03   0.24    -0.13   0.11  -0.10    -0.10   0.13   0.05
    26   1     0.02  -0.02   0.13     0.04  -0.06  -0.18     0.10  -0.08   0.05
    27   1    -0.00   0.00  -0.02     0.04  -0.00   0.04     0.07  -0.00  -0.09
    28   1    -0.06   0.00  -0.25    -0.08  -0.03   0.00    -0.05  -0.04   0.14
    29   1    -0.18  -0.18   0.32    -0.21   0.35  -0.25    -0.04  -0.09   0.19
    30   1    -0.01   0.05   0.39    -0.12   0.19  -0.03    -0.10   0.23  -0.08
    31   1     0.11   0.22   0.30    -0.16  -0.17  -0.27    -0.23   0.28   0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    187.7822               209.6128               213.2491
 Red. masses --      3.2557                 1.0819                 3.1635
 Frc consts  --      0.0676                 0.0280                 0.0848
 IR Inten    --      0.9679                 0.5582                 2.5538
 RamAct Fr= 1--      0.2189                 0.4375                 8.7470
  Dep-P Fr= 1--      0.1484                 0.4156                 0.3148
  Dep-U Fr= 1--      0.2585                 0.5871                 0.4789
 Alpha2 Fr= 1--      0.0034                 0.0031                 0.0858
 Beta2  Fr= 1--      0.0094                 0.0428                 0.6981
 AlphaG Fr= 1--      0.0055                 0.0042                -0.0395
 Gamma2 Fr= 1--     -0.3104                -0.2072                -0.9324
 Delta2 Fr= 1--      0.0807                -0.0835                -0.5633
 Raman1 Fr= 1--       0.876                  1.750                 34.988
 ROA1   Fr= 1--     -27.214                -22.563               -107.537
 CID1   Fr= 1--     -31.082                -12.893                 -3.074
 Raman2 Fr= 1--       0.113                  0.514                  8.377
 ROA2   Fr= 1--      -8.094                 -4.304                -17.872
 CID2   Fr= 1--     -71.525                 -8.378                 -2.133
 Raman3 Fr= 1--       0.226                  1.028                 16.754
 ROA3   Fr= 1--     -27.214                -22.563               -107.537
 CID3   Fr= 1--    -120.238                -21.959                 -6.418
 RC180  Fr= 1--      -0.483                  0.174                 -0.042
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.08    -0.00   0.00  -0.01     0.03  -0.02   0.06
     2   6     0.01  -0.02  -0.10     0.00   0.00  -0.01     0.01  -0.01   0.01
     3   6    -0.01  -0.01  -0.13    -0.00  -0.00  -0.02     0.02  -0.06   0.12
     4   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.09   0.06
     5   6     0.04  -0.01   0.22     0.00  -0.00   0.02    -0.02  -0.09   0.02
     6   6     0.03  -0.02   0.12    -0.00   0.00   0.01    -0.03  -0.05   0.01
     7   6     0.03  -0.02   0.10     0.00   0.00   0.01     0.07   0.02  -0.03
     8   1    -0.02  -0.00  -0.22    -0.00  -0.00  -0.04     0.07  -0.08   0.15
     9   1     0.07  -0.01   0.44     0.00  -0.00   0.04    -0.03  -0.09  -0.01
    10   1     0.05  -0.03   0.23    -0.00   0.00   0.03    -0.07  -0.04  -0.02
    11   6    -0.00   0.02  -0.02    -0.01   0.01   0.00    -0.06  -0.02   0.00
    12   6    -0.03   0.03  -0.04     0.03   0.00   0.02    -0.15   0.08  -0.07
    13   6    -0.03   0.01  -0.02    -0.01   0.01  -0.00    -0.06   0.01  -0.01
    14   1    -0.01   0.02  -0.01    -0.03   0.02  -0.01    -0.12  -0.02   0.03
    15   1     0.00  -0.09   0.00    -0.10   0.49  -0.21    -0.17   0.16  -0.18
    16   1     0.04   0.16  -0.02    -0.32  -0.44  -0.00    -0.28   0.10   0.01
    17   1    -0.17   0.05  -0.12     0.54  -0.05   0.30    -0.09   0.08  -0.13
    18   8    -0.03   0.00   0.01    -0.02  -0.01  -0.03    -0.05   0.03   0.02
    19   8    -0.06   0.00  -0.03    -0.01  -0.02   0.00    -0.09   0.04  -0.03
    20   1    -0.06   0.01  -0.06    -0.00  -0.01   0.02    -0.10   0.00  -0.06
    21   6     0.04  -0.01   0.18     0.00   0.01   0.02     0.05   0.06  -0.10
    22   6     0.02  -0.01  -0.05     0.00   0.01   0.00     0.05   0.06  -0.03
    23   6    -0.00  -0.01  -0.20     0.00   0.01  -0.01     0.02   0.04  -0.04
    24   8     0.02   0.02  -0.05     0.00   0.00  -0.01     0.07   0.02   0.07
    25   6    -0.01   0.03   0.04     0.01  -0.00   0.00     0.19  -0.03  -0.03
    26   1     0.05  -0.02   0.23     0.01   0.00   0.02     0.11   0.00  -0.06
    27   1     0.06  -0.02   0.38     0.01   0.01   0.04     0.06   0.07  -0.17
    28   1    -0.02  -0.01  -0.30    -0.00   0.01  -0.01    -0.01   0.05  -0.05
    29   1    -0.20   0.03  -0.01     0.03  -0.01   0.01     0.03   0.15  -0.18
    30   1     0.01   0.05   0.24     0.01  -0.01  -0.01     0.21  -0.16   0.25
    31   1     0.14   0.02  -0.04     0.02   0.01   0.01     0.46  -0.15  -0.22
                     10                     11                     12
                      A                      A                      A
 Frequencies --    220.1036               241.1905               284.6901
 Red. masses --      2.6540                 1.6417                 2.7693
 Frc consts  --      0.0758                 0.0563                 0.1322
 IR Inten    --      1.9403                 0.3960                 1.8887
 RamAct Fr= 1--      2.8582                 1.9501                 2.8438
  Dep-P Fr= 1--      0.6784                 0.2087                 0.4449
  Dep-U Fr= 1--      0.8084                 0.3453                 0.6159
 Alpha2 Fr= 1--      0.0036                 0.0259                 0.0178
 Beta2  Fr= 1--      0.3851                 0.1122                 0.2919
 AlphaG Fr= 1--      0.0018                 0.0067                -0.0075
 Gamma2 Fr= 1--     -1.7597                 0.5051                 0.5537
 Delta2 Fr= 1--     -0.5909                 0.0791                -0.0584
 Raman1 Fr= 1--      11.433                  7.800                 11.375
 ROA1   Fr= 1--    -187.837                 51.017                 51.285
 CID1   Fr= 1--     -16.430                  6.540                  4.509
 Raman2 Fr= 1--       4.621                  1.347                  3.503
 ROA2   Fr= 1--     -37.505                 11.489                 13.755
 CID2   Fr= 1--      -8.116                  8.531                  3.927
 Raman3 Fr= 1--       9.242                  2.693                  7.006
 ROA3   Fr= 1--    -187.837                 51.017                 51.285
 CID3   Fr= 1--     -20.323                 18.941                  7.321
 RC180  Fr= 1--       0.617                 -0.309                  0.232
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.07    -0.01   0.02   0.04     0.00   0.01   0.08
     2   6    -0.05   0.03  -0.02    -0.03   0.02   0.05    -0.02   0.02  -0.04
     3   6    -0.01  -0.05  -0.11    -0.00  -0.01  -0.00     0.02  -0.01   0.14
     4   6    -0.04  -0.09  -0.03    -0.00  -0.02  -0.04     0.02  -0.02   0.03
     5   6    -0.08  -0.08  -0.00    -0.04  -0.01  -0.01    -0.01  -0.01   0.09
     6   6    -0.09  -0.01  -0.01    -0.04   0.01   0.06    -0.02   0.01   0.06
     7   6     0.00   0.04   0.02    -0.03   0.01   0.02    -0.02   0.01   0.01
     8   1     0.03  -0.06  -0.15     0.01  -0.01  -0.01     0.04  -0.02   0.18
     9   1    -0.11  -0.10   0.03    -0.06  -0.03  -0.02    -0.02  -0.03   0.14
    10   1    -0.15   0.00   0.02    -0.05   0.02   0.09    -0.03   0.02   0.09
    11   6    -0.03  -0.06   0.02     0.02  -0.02  -0.03     0.03  -0.02  -0.06
    12   6     0.05   0.06   0.02     0.16   0.01   0.02     0.15   0.01  -0.02
    13   6     0.01  -0.02   0.02     0.02  -0.01  -0.02     0.02  -0.00  -0.05
    14   1    -0.08  -0.06   0.07    -0.00  -0.02  -0.01     0.01  -0.01  -0.05
    15   1     0.06   0.04   0.13     0.16   0.03   0.17     0.14   0.06   0.10
    16   1     0.13   0.18   0.03     0.26   0.03  -0.03     0.23   0.01  -0.07
    17   1     0.02   0.07  -0.12     0.19   0.01  -0.01     0.21   0.01  -0.04
    18   8     0.03   0.02  -0.00     0.02  -0.00  -0.02     0.01  -0.01  -0.00
    19   8     0.07   0.03   0.04     0.03   0.00  -0.01    -0.04   0.01  -0.09
    20   1     0.05  -0.00   0.07     0.03   0.00  -0.01    -0.04   0.01  -0.14
    21   6    -0.00   0.07   0.10    -0.04   0.02  -0.02    -0.03   0.01  -0.09
    22   6    -0.02   0.07   0.04    -0.04   0.02  -0.02    -0.04   0.01  -0.06
    23   6    -0.03   0.07   0.04    -0.03   0.03   0.00    -0.04   0.02  -0.16
    24   8    -0.02  -0.01  -0.06    -0.04  -0.01  -0.02    -0.02  -0.02   0.15
    25   6     0.16  -0.09  -0.01     0.01  -0.04  -0.01    -0.02  -0.03   0.01
    26   1     0.03   0.03   0.04    -0.03   0.02   0.02    -0.03   0.01   0.03
    27   1     0.02   0.09   0.17    -0.03   0.03  -0.04    -0.03   0.02  -0.12
    28   1    -0.04   0.07   0.06    -0.03   0.03  -0.04    -0.03   0.02  -0.17
    29   1     0.53  -0.21   0.16    -0.38   0.13  -0.21     0.38  -0.09   0.15
    30   1     0.12  -0.24  -0.37     0.05  -0.10   0.51    -0.06  -0.03  -0.47
    31   1    -0.01   0.12   0.21     0.41  -0.18  -0.29    -0.36   0.04   0.22
                     13                     14                     15
                      A                      A                      A
 Frequencies --    301.0332               382.7621               400.5402
 Red. masses --      4.1729                 4.4356                 5.1402
 Frc consts  --      0.2228                 0.3829                 0.4859
 IR Inten    --     10.1313                 5.9554                 1.1615
 RamAct Fr= 1--      5.7542                 1.3436                 1.0196
  Dep-P Fr= 1--      0.1600                 0.6155                 0.7491
  Dep-U Fr= 1--      0.2758                 0.7620                 0.8566
 Alpha2 Fr= 1--      0.0867                 0.0033                 0.0000
 Beta2  Fr= 1--      0.2645                 0.1706                 0.1456
 AlphaG Fr= 1--      0.1081                 0.0020                -0.0005
 Gamma2 Fr= 1--      0.9865                -1.1204                 1.7109
 Delta2 Fr= 1--      0.3185                 0.0714                 0.4666
 Raman1 Fr= 1--      23.017                  5.374                  4.079
 ROA1   Fr= 1--     104.892               -105.273                179.180
 CID1   Fr= 1--       4.557                -19.588                 43.932
 Raman2 Fr= 1--       3.174                  2.048                  1.747
 ROA2   Fr= 1--      21.128                -27.461                 37.330
 CID2   Fr= 1--       6.656                -13.412                 21.371
 Raman3 Fr= 1--       6.349                  4.095                  3.494
 ROA3   Fr= 1--     104.892               -105.273                179.180
 CID3   Fr= 1--      16.521                -25.707                 51.289
 RC180  Fr= 1--      -0.448                  0.524                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.07  -0.02    -0.08  -0.17  -0.01     0.02   0.04  -0.09
     2   6    -0.01   0.07   0.00    -0.10  -0.16  -0.01     0.01   0.05  -0.10
     3   6     0.06   0.02  -0.03    -0.10  -0.01   0.02     0.05  -0.03   0.13
     4   6     0.05  -0.02   0.01     0.04   0.12   0.04     0.03  -0.06   0.24
     5   6    -0.02   0.00  -0.00     0.04   0.11   0.03     0.01  -0.06   0.19
     6   6    -0.03   0.06  -0.01     0.05  -0.05  -0.05    -0.04   0.02  -0.21
     7   6    -0.04   0.03  -0.00    -0.01  -0.11  -0.02    -0.00   0.03  -0.13
     8   1     0.09   0.01  -0.03    -0.28   0.05   0.04     0.11  -0.05   0.11
     9   1    -0.05  -0.03  -0.01     0.09   0.15   0.04    -0.02  -0.09   0.27
    10   1    -0.06   0.07  -0.01     0.22  -0.11  -0.10    -0.11   0.04  -0.40
    11   6     0.10  -0.12  -0.02     0.10   0.10  -0.02     0.01   0.02   0.02
    12   6    -0.08   0.08  -0.19     0.02  -0.02  -0.02     0.07   0.00   0.08
    13   6     0.12  -0.10   0.03     0.10   0.02  -0.02     0.02   0.04  -0.07
    14   1     0.14  -0.12   0.07     0.15   0.10  -0.05    -0.06   0.03  -0.01
    15   1    -0.14   0.31  -0.44     0.03  -0.07  -0.09     0.08  -0.03   0.21
    16   1    -0.38   0.07  -0.02    -0.00  -0.09  -0.04     0.19  -0.00   0.00
    17   1     0.11   0.07  -0.29    -0.03  -0.02   0.10     0.06   0.00   0.10
    18   8     0.16  -0.04   0.25     0.07  -0.07   0.09    -0.01  -0.02  -0.08
    19   8    -0.02   0.05  -0.06    -0.02  -0.02  -0.09    -0.11   0.02  -0.16
    20   1    -0.02  -0.02  -0.21     0.02   0.06  -0.17    -0.08   0.06  -0.28
    21   6    -0.04  -0.01   0.02    -0.03   0.04   0.02     0.01   0.00   0.10
    22   6    -0.06  -0.02   0.02    -0.08   0.07   0.04     0.01  -0.00   0.16
    23   6    -0.01   0.03   0.03    -0.14  -0.03   0.05     0.04   0.03   0.16
    24   8    -0.06  -0.05  -0.02    -0.09   0.13  -0.01    -0.01  -0.04  -0.12
    25   6    -0.10  -0.05   0.01     0.17   0.03  -0.02    -0.06  -0.03  -0.01
    26   1    -0.10   0.05  -0.00     0.10  -0.15  -0.05    -0.04   0.04  -0.24
    27   1    -0.04  -0.01   0.04     0.04   0.10   0.02     0.01   0.01   0.10
    28   1     0.04   0.01   0.03    -0.24   0.00   0.06     0.06   0.02   0.17
    29   1    -0.18  -0.05  -0.01     0.29   0.11  -0.03    -0.20  -0.07  -0.02
    30   1    -0.09  -0.01   0.07     0.15  -0.24   0.01    -0.04   0.02   0.14
    31   1    -0.07  -0.06  -0.02     0.34   0.12  -0.04     0.03  -0.02  -0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    413.4210               453.9502               488.1798
 Red. masses --      3.3123                 5.0447                 2.5703
 Frc consts  --      0.3336                 0.6125                 0.3609
 IR Inten    --      0.0466                 9.4810                13.2523
 RamAct Fr= 1--      2.4999                 5.5330                 0.3187
  Dep-P Fr= 1--      0.7482                 0.0991                 0.5939
  Dep-U Fr= 1--      0.8560                 0.1803                 0.7452
 Alpha2 Fr= 1--      0.0001                 0.0971                 0.0009
 Beta2  Fr= 1--      0.3566                 0.1663                 0.0396
 AlphaG Fr= 1--      0.0059                -0.2115                -0.0069
 Gamma2 Fr= 1--      0.5888                -1.7075                -0.1827
 Delta2 Fr= 1--      0.0695                -0.4725                -0.0162
 Raman1 Fr= 1--      10.000                 22.132                  1.275
 ROA1   Fr= 1--      58.745               -179.043                -18.059
 CID1   Fr= 1--       5.875                 -8.090                -14.166
 Raman2 Fr= 1--       4.280                  1.995                  0.475
 ROA2   Fr= 1--      13.575                -37.201                 -4.256
 CID2   Fr= 1--       3.172                -18.644                 -8.960
 Raman3 Fr= 1--       8.559                  3.991                  0.950
 ROA3   Fr= 1--      58.745               -179.043                -18.059
 CID3   Fr= 1--       6.863                -44.866                -19.010
 RC180  Fr= 1--       0.712                 -0.639                  0.490
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.08    -0.11   0.05   0.00     0.02  -0.00   0.21
     2   6    -0.00   0.00  -0.04    -0.03  -0.00  -0.02     0.01  -0.00   0.18
     3   6    -0.01   0.00  -0.17    -0.13   0.09   0.04    -0.01   0.01  -0.11
     4   6     0.00  -0.01   0.02    -0.13   0.06   0.03     0.00   0.00   0.03
     5   6     0.01  -0.01   0.14    -0.10   0.07   0.05     0.00   0.00   0.07
     6   6    -0.02   0.00  -0.17    -0.07   0.02  -0.02    -0.01   0.00  -0.11
     7   6     0.02  -0.00   0.24    -0.11   0.04   0.00    -0.01   0.00  -0.10
     8   1    -0.03   0.00  -0.39    -0.15   0.10   0.05    -0.04   0.01  -0.44
     9   1     0.02  -0.01   0.29    -0.06   0.11   0.07    -0.00   0.00  -0.00
    10   1    -0.04   0.01  -0.34    -0.08   0.02  -0.03    -0.04   0.01  -0.42
    11   6     0.00   0.00   0.00    -0.07  -0.16  -0.01     0.00  -0.00  -0.02
    12   6     0.00   0.00   0.00     0.07   0.01  -0.01     0.01  -0.00  -0.03
    13   6     0.00   0.01  -0.00    -0.01  -0.14  -0.03    -0.01   0.01   0.01
    14   1    -0.00   0.00  -0.00     0.04  -0.17   0.09    -0.00  -0.00  -0.04
    15   1     0.00   0.00   0.00     0.03   0.18   0.17     0.01   0.01  -0.03
    16   1     0.00   0.00   0.00     0.13   0.04  -0.03     0.01   0.01  -0.03
    17   1    -0.00   0.00   0.00     0.25   0.00  -0.15     0.02  -0.00  -0.05
    18   8    -0.00  -0.00  -0.00     0.06   0.02   0.03    -0.01   0.00   0.01
    19   8    -0.00  -0.01  -0.00     0.02   0.06  -0.05     0.01  -0.02   0.02
    20   1     0.01   0.03  -0.00    -0.05  -0.18  -0.11     0.03   0.08   0.06
    21   6    -0.02   0.01  -0.20    -0.02  -0.12   0.00     0.00  -0.01   0.05
    22   6    -0.01   0.00  -0.09     0.14  -0.14   0.00     0.01  -0.01   0.08
    23   6     0.01   0.00   0.12     0.05  -0.18   0.01    -0.01  -0.00  -0.12
    24   8     0.00  -0.00   0.05     0.18   0.08  -0.02     0.00   0.00  -0.01
    25   6    -0.00  -0.00   0.00     0.14   0.17  -0.01     0.01   0.01   0.00
    26   1     0.04  -0.01   0.46    -0.17   0.06   0.01    -0.05   0.01  -0.46
    27   1    -0.03   0.01  -0.32    -0.19  -0.29   0.01    -0.02  -0.01  -0.13
    28   1     0.03  -0.00   0.34     0.11  -0.20   0.02    -0.04   0.00  -0.48
    29   1    -0.00   0.04  -0.02     0.12   0.15  -0.01     0.03  -0.02   0.02
    30   1    -0.00  -0.00   0.01     0.14   0.19   0.00     0.00   0.00  -0.04
    31   1    -0.01  -0.04  -0.02     0.14   0.15  -0.01    -0.01   0.03   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    498.2907               523.3692               533.2672
 Red. masses --      4.1577                 3.1269                 6.1066
 Frc consts  --      0.6082                 0.5046                 1.0231
 IR Inten    --      4.6455                20.6556                 5.4097
 RamAct Fr= 1--      3.6154                 1.1070                23.1472
  Dep-P Fr= 1--      0.6137                 0.7496                 0.2013
  Dep-U Fr= 1--      0.7606                 0.8569                 0.3351
 Alpha2 Fr= 1--      0.0090                 0.0000                 0.3133
 Beta2  Fr= 1--      0.4583                 0.1581                 1.2929
 AlphaG Fr= 1--      0.0083                -0.0035                -0.1106
 Gamma2 Fr= 1--     -1.4240                 2.5211                -1.8492
 Delta2 Fr= 1--     -0.8486                 0.1649                -0.0281
 Raman1 Fr= 1--      14.462                  4.428                 92.589
 ROA1   Fr= 1--    -163.861                247.303               -178.416
 CID1   Fr= 1--     -11.331                 55.850                 -1.927
 Raman2 Fr= 1--       5.500                  1.897                 15.515
 ROA2   Fr= 1--     -27.388                 59.188                -44.155
 CID2   Fr= 1--      -4.980                 31.198                 -2.846
 Raman3 Fr= 1--      11.000                  3.794                 31.030
 ROA3   Fr= 1--    -163.861                247.303               -178.416
 CID3   Fr= 1--     -14.896                 65.176                 -5.750
 RC180  Fr= 1--       0.521                  0.714                 -0.330
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03   0.02    -0.03   0.07  -0.01    -0.18  -0.01   0.02
     2   6     0.00   0.02   0.11    -0.02   0.07  -0.03     0.09  -0.10  -0.04
     3   6    -0.03  -0.04  -0.12     0.02  -0.09   0.03    -0.18  -0.08   0.04
     4   6    -0.02  -0.05   0.03     0.03  -0.09  -0.02    -0.07  -0.03  -0.02
     5   6    -0.04  -0.06  -0.12    -0.01  -0.09   0.00     0.16  -0.10   0.00
     6   6    -0.04  -0.00   0.07    -0.04   0.05   0.00     0.16  -0.14  -0.03
     7   6    -0.02   0.05   0.03    -0.09   0.05   0.01    -0.17   0.12   0.01
     8   1    -0.00  -0.05  -0.21     0.10  -0.11   0.04    -0.17  -0.08   0.05
     9   1    -0.09  -0.08  -0.26    -0.09  -0.17   0.05     0.27  -0.01   0.04
    10   1    -0.10   0.02   0.04    -0.14   0.08   0.06     0.16  -0.14  -0.01
    11   6    -0.01   0.11   0.13     0.04   0.14  -0.08    -0.05   0.01  -0.06
    12   6    -0.10   0.03   0.23     0.01  -0.01  -0.08     0.03  -0.02  -0.05
    13   6     0.14   0.02  -0.04     0.06   0.18   0.01     0.02   0.00  -0.01
    14   1    -0.10   0.12   0.17    -0.14   0.16  -0.24    -0.05   0.01  -0.09
    15   1    -0.07  -0.10   0.19     0.03  -0.11  -0.15     0.03   0.01   0.03
    16   1    -0.06  -0.07   0.16     0.01  -0.05  -0.10     0.09  -0.04  -0.10
    17   1    -0.20   0.02   0.42    -0.10  -0.01   0.04     0.07  -0.02  -0.05
    18   8     0.12  -0.08   0.01    -0.03  -0.04   0.08     0.02  -0.02   0.09
    19   8    -0.06   0.02  -0.20     0.03  -0.12   0.04     0.05  -0.03   0.00
    20   1     0.02   0.17  -0.42     0.24   0.56   0.18     0.07   0.05   0.06
    21   6    -0.01   0.01  -0.01    -0.05  -0.09   0.00    -0.20   0.26   0.02
    22   6     0.04  -0.01  -0.08     0.01  -0.08   0.01     0.10   0.14   0.02
    23   6     0.02  -0.01  -0.06     0.01  -0.07   0.01     0.09   0.12   0.00
    24   8     0.07  -0.02   0.03     0.01   0.06  -0.01     0.16  -0.10  -0.02
    25   6    -0.00   0.01   0.00     0.06   0.07  -0.00    -0.06  -0.01   0.00
    26   1    -0.02   0.05   0.07    -0.19   0.08   0.03    -0.01   0.07  -0.03
    27   1    -0.05  -0.04   0.06    -0.14  -0.18   0.01    -0.27   0.19  -0.00
    28   1     0.02  -0.01  -0.10     0.11  -0.10   0.04    -0.14   0.19   0.02
    29   1    -0.01  -0.00   0.01     0.10   0.09  -0.01    -0.21  -0.10   0.01
    30   1    -0.00   0.09  -0.03     0.06  -0.00   0.00    -0.03   0.27   0.01
    31   1    -0.07  -0.02   0.01     0.11   0.09  -0.01    -0.20  -0.09   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    541.2006               580.8898               602.8317
 Red. masses --      4.3388                 1.3160                 2.7651
 Frc consts  --      0.7488                 0.2616                 0.5920
 IR Inten    --      6.1101                55.5290                 1.3165
 RamAct Fr= 1--      3.5632                 1.4913                 2.9618
  Dep-P Fr= 1--      0.6866                 0.5896                 0.5269
  Dep-U Fr= 1--      0.8142                 0.7418                 0.6902
 Alpha2 Fr= 1--      0.0040                 0.0045                 0.0128
 Beta2  Fr= 1--      0.4835                 0.1844                 0.3407
 AlphaG Fr= 1--      0.0234                 0.1011                -0.0051
 Gamma2 Fr= 1--      1.8336                 1.6012                -0.3774
 Delta2 Fr= 1--      0.2272                 0.2677                -0.0621
 Raman1 Fr= 1--      14.253                  5.965                 11.847
 ROA1   Fr= 1--     183.293                162.279                -38.218
 CID1   Fr= 1--      12.860                 27.204                 -3.226
 Raman2 Fr= 1--       5.802                  2.213                  4.088
 ROA2   Fr= 1--      42.187                 36.286                 -8.561
 CID2   Fr= 1--       7.271                 16.400                 -2.094
 Raman3 Fr= 1--      11.604                  4.425                  8.177
 ROA3   Fr= 1--     183.293                162.279                -38.218
 CID3   Fr= 1--      15.795                 36.672                 -4.674
 RC180  Fr= 1--       0.628                  0.484                  0.380
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07   0.00     0.01  -0.00  -0.01     0.02   0.00   0.10
     2   6     0.11   0.04   0.02     0.03  -0.01   0.00    -0.00   0.01  -0.16
     3   6     0.05  -0.05  -0.03     0.01   0.04   0.00     0.01   0.00   0.01
     4   6     0.06  -0.08   0.01    -0.02   0.02   0.02    -0.02  -0.00  -0.20
     5   6     0.20  -0.10  -0.03     0.01   0.02  -0.01     0.01  -0.01   0.01
     6   6     0.17   0.01  -0.01     0.03  -0.02   0.00     0.00  -0.00  -0.01
     7   6    -0.17  -0.01   0.02    -0.00  -0.03  -0.00     0.01  -0.01   0.05
     8   1     0.17  -0.08  -0.06     0.00   0.04  -0.02     0.04  -0.00   0.19
     9   1     0.20  -0.10  -0.07     0.05   0.05  -0.03     0.04  -0.02   0.41
    10   1     0.11   0.03  -0.03     0.05  -0.03   0.00     0.02  -0.01   0.36
    11   6     0.02  -0.08   0.07    -0.03  -0.09   0.03    -0.02   0.02   0.03
    12   6    -0.02  -0.00   0.05    -0.00  -0.00   0.01    -0.05   0.02   0.08
    13   6    -0.04  -0.07   0.01    -0.02  -0.05  -0.00     0.01  -0.05  -0.01
    14   1     0.05  -0.08   0.15     0.03  -0.09   0.04    -0.02   0.01   0.11
    15   1    -0.03   0.02   0.01    -0.02   0.07   0.06    -0.04  -0.02   0.04
    16   1    -0.07   0.05   0.11    -0.00   0.05   0.04    -0.07  -0.03   0.07
    17   1    -0.02   0.00  -0.02     0.06   0.00  -0.08    -0.09   0.02   0.15
    18   8    -0.01   0.03  -0.09     0.02   0.04  -0.02     0.04   0.00   0.01
    19   8    -0.04   0.07   0.00    -0.03  -0.04  -0.02     0.01   0.01  -0.03
    20   1    -0.18  -0.38  -0.09     0.29   0.92   0.02     0.05   0.11  -0.06
    21   6    -0.17  -0.07   0.01    -0.01  -0.00   0.00     0.00  -0.01  -0.06
    22   6    -0.09  -0.04  -0.01    -0.01   0.01  -0.02     0.01  -0.01   0.24
    23   6     0.04   0.01  -0.01     0.01   0.02   0.00     0.01   0.01  -0.02
    24   8    -0.14   0.14   0.02    -0.02   0.01   0.01    -0.02   0.01  -0.05
    25   6     0.08   0.08  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.30   0.03   0.04     0.00  -0.03   0.02    -0.03   0.00  -0.25
    27   1    -0.21  -0.11   0.03     0.01   0.02   0.04    -0.03   0.01  -0.54
    28   1     0.14  -0.02  -0.03     0.01   0.02   0.02    -0.00   0.01  -0.26
    29   1     0.23   0.16  -0.01     0.01   0.01  -0.00    -0.01  -0.02   0.01
    30   1     0.05  -0.20  -0.01    -0.00  -0.03  -0.00    -0.00  -0.03   0.02
    31   1     0.22   0.16  -0.02     0.01   0.00  -0.00     0.04   0.04   0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --    641.7999               682.4313               694.9994
 Red. masses --      5.1592                 5.2859                 3.7677
 Frc consts  --      1.2521                 1.4504                 1.0723
 IR Inten    --      1.3005                 3.6626                 9.0598
 RamAct Fr= 1--      1.2932                 1.1748                 0.1294
  Dep-P Fr= 1--      0.7371                 0.1773                 0.2957
  Dep-U Fr= 1--      0.8487                 0.3012                 0.4565
 Alpha2 Fr= 1--      0.0003                 0.0169                 0.0013
 Beta2  Fr= 1--      0.1829                 0.0590                 0.0098
 AlphaG Fr= 1--     -0.0082                -0.0368                 0.0039
 Gamma2 Fr= 1--      0.6819                -0.0441                -0.5526
 Delta2 Fr= 1--     -0.2776                 0.0374                -0.3660
 Raman1 Fr= 1--       5.173                  4.699                  0.518
 ROA1   Fr= 1--      56.583                 -3.035                -64.765
 CID1   Fr= 1--      10.939                 -0.646               -125.115
 Raman2 Fr= 1--       2.195                  0.708                  0.118
 ROA2   Fr= 1--      18.588                 -1.357                -10.335
 CID2   Fr= 1--       8.469                 -1.918                -87.479
 Raman3 Fr= 1--       4.390                  1.415                  0.236
 ROA3   Fr= 1--      56.583                 -3.035                -64.765
 CID3   Fr= 1--      12.890                 -2.144               -274.101
 RC180  Fr= 1--       0.697                 -0.398                 -0.087
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.03  -0.01    -0.06   0.02   0.07    -0.04   0.02  -0.11
     2   6     0.16   0.00   0.00    -0.06   0.03   0.04    -0.02   0.01  -0.03
     3   6     0.05   0.18   0.02    -0.07  -0.14   0.06    -0.06  -0.04  -0.06
     4   6    -0.15   0.02   0.01    -0.01  -0.03  -0.16    -0.00  -0.02   0.25
     5   6    -0.04  -0.05   0.02     0.16   0.00   0.06     0.08   0.01  -0.09
     6   6    -0.00  -0.18  -0.02     0.10   0.18  -0.09     0.08   0.08   0.10
     7   6     0.01  -0.12  -0.02     0.10   0.18  -0.10     0.08   0.10   0.12
     8   1     0.12   0.15  -0.02    -0.05  -0.14   0.13    -0.06  -0.05  -0.22
     9   1     0.10   0.09  -0.03     0.12  -0.05   0.28     0.05   0.02  -0.49
    10   1    -0.07  -0.15  -0.07     0.12   0.18  -0.09     0.09   0.07  -0.02
    11   6    -0.21   0.05  -0.10    -0.11   0.01  -0.04    -0.08  -0.04  -0.03
    12   6    -0.04   0.02   0.04    -0.05   0.02   0.07     0.01  -0.02  -0.03
    13   6    -0.00   0.04  -0.11    -0.09  -0.13  -0.09    -0.03   0.02  -0.05
    14   1    -0.29   0.06  -0.13    -0.06  -0.00   0.12    -0.08  -0.04  -0.09
    15   1    -0.03   0.06   0.35    -0.05   0.02   0.20    -0.01   0.08   0.19
    16   1     0.21  -0.10  -0.17     0.05  -0.08  -0.04     0.13   0.01  -0.09
    17   1     0.09   0.00   0.14    -0.02   0.01   0.18     0.15  -0.02  -0.11
    18   8    -0.02  -0.03   0.20    -0.01   0.05   0.11    -0.04   0.01   0.06
    19   8     0.15  -0.05  -0.09     0.10  -0.01  -0.07     0.05  -0.02  -0.04
    20   1     0.04  -0.28   0.13     0.10   0.08   0.13     0.03  -0.03   0.10
    21   6    -0.00  -0.07   0.01     0.15   0.01   0.06     0.08   0.01  -0.10
    22   6    -0.05  -0.00  -0.04    -0.02  -0.03  -0.16     0.01  -0.02   0.20
    23   6     0.12   0.11   0.00    -0.08  -0.12   0.05    -0.04  -0.07  -0.06
    24   8    -0.11   0.06   0.02    -0.07   0.01   0.03    -0.06   0.02  -0.02
    25   6    -0.01   0.00   0.00    -0.03  -0.06   0.00    -0.02  -0.04  -0.00
    26   1    -0.05  -0.10   0.03     0.13   0.17  -0.05     0.09   0.10   0.11
    27   1     0.08  -0.00   0.10     0.14  -0.03   0.35     0.04  -0.00  -0.41
    28   1     0.21   0.08   0.05    -0.03  -0.14   0.26    -0.04  -0.07  -0.31
    29   1     0.08   0.05  -0.00     0.03  -0.01  -0.01     0.01  -0.04   0.00
    30   1    -0.02  -0.14  -0.00    -0.03  -0.13  -0.00    -0.02  -0.10   0.00
    31   1     0.07   0.04  -0.01     0.01  -0.05  -0.01     0.03   0.00   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    748.6629               781.5258               791.4097
 Red. masses --      5.7687                 2.6690                 3.3700
 Frc consts  --      1.9050                 0.9605                 1.2436
 IR Inten    --      6.7702                 0.7127                 0.5641
 RamAct Fr= 1--     41.3770                 6.8144                23.5467
  Dep-P Fr= 1--      0.0689                 0.1109                 0.0945
  Dep-U Fr= 1--      0.1288                 0.1996                 0.1727
 Alpha2 Fr= 1--      0.7813                 0.1162                 0.4179
 Beta2  Fr= 1--      0.8885                 0.2267                 0.6776
 AlphaG Fr= 1--     -0.3536                -0.1043                 0.3796
 Gamma2 Fr= 1--     -2.3173                 0.7608                 1.8008
 Delta2 Fr= 1--      0.2716                 0.6671                 0.1618
 Raman1 Fr= 1--     165.508                 27.258                 94.187
 ROA1   Fr= 1--    -213.765                 94.387                178.053
 CID1   Fr= 1--      -1.292                  3.463                  1.890
 Raman2 Fr= 1--      10.662                  2.720                  8.131
 ROA2   Fr= 1--     -57.787                 12.924                 41.925
 CID2   Fr= 1--      -5.420                  4.751                  5.156
 Raman3 Fr= 1--      21.324                  5.440                 16.263
 ROA3   Fr= 1--    -213.765                 94.387                178.053
 CID3   Fr= 1--     -10.024                 17.349                 10.949
 RC180  Fr= 1--      -0.742                 -0.601                 -0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.11   0.06     0.01  -0.04   0.20    -0.02  -0.06  -0.09
     2   6     0.05  -0.07  -0.03    -0.02   0.03  -0.20     0.02   0.07   0.11
     3   6    -0.08   0.12   0.00    -0.02  -0.03  -0.04    -0.08  -0.07   0.02
     4   6    -0.13   0.02  -0.04    -0.00  -0.01   0.09    -0.06  -0.02  -0.08
     5   6     0.01  -0.05  -0.02     0.01   0.03  -0.09     0.05   0.05   0.03
     6   6     0.04  -0.20  -0.03     0.03   0.09   0.05     0.04   0.19  -0.06
     7   6     0.09   0.28  -0.02    -0.00  -0.07  -0.03     0.01  -0.15   0.00
     8   1    -0.02   0.10   0.05    -0.07  -0.02  -0.35    -0.10  -0.06   0.26
     9   1     0.21   0.11   0.15    -0.00   0.01  -0.02     0.03   0.02   0.20
    10   1     0.04  -0.21   0.12     0.05   0.09   0.28     0.02   0.20   0.01
    11   6    -0.03  -0.05   0.01    -0.05  -0.06  -0.00    -0.12  -0.10  -0.02
    12   6     0.02  -0.03  -0.05    -0.01  -0.01   0.01    -0.04  -0.02   0.01
    13   6     0.18   0.15   0.14     0.04   0.07   0.01     0.12   0.14   0.07
    14   1    -0.12  -0.03  -0.22    -0.09  -0.05  -0.12    -0.23  -0.08  -0.27
    15   1    -0.00   0.07  -0.00    -0.04   0.10   0.13    -0.08   0.18   0.25
    16   1     0.02   0.08   0.00     0.03   0.07   0.02     0.07   0.12   0.02
    17   1     0.09  -0.02  -0.22     0.10  -0.01  -0.14     0.17  -0.01  -0.23
    18   8     0.09  -0.10  -0.10    -0.00  -0.02  -0.00     0.05  -0.07  -0.03
    19   8    -0.13   0.01   0.10    -0.01  -0.01  -0.00    -0.05  -0.01   0.04
    20   1    -0.10  -0.06  -0.28    -0.02  -0.06  -0.03    -0.05  -0.07  -0.16
    21   6     0.14   0.01   0.02     0.00  -0.01   0.10     0.01  -0.03  -0.05
    22   6     0.01  -0.04  -0.04    -0.01   0.01  -0.08    -0.01   0.01   0.02
    23   6     0.01  -0.12   0.01     0.01   0.03  -0.00     0.04   0.08   0.02
    24   8    -0.15   0.06   0.02     0.02  -0.01  -0.00     0.02  -0.01   0.00
    25   6    -0.05  -0.07   0.00     0.01   0.01  -0.00     0.00   0.01   0.00
    26   1     0.07   0.29  -0.09    -0.01  -0.07  -0.39     0.08  -0.17   0.18
    27   1     0.04  -0.08   0.03     0.03   0.03  -0.15     0.12   0.06   0.11
    28   1     0.05  -0.14   0.08     0.07   0.02   0.59     0.06   0.08  -0.39
    29   1     0.06  -0.01  -0.00    -0.01   0.01  -0.01    -0.00   0.00   0.00
    30   1    -0.06  -0.27   0.00     0.01   0.03   0.03     0.00   0.04  -0.02
    31   1     0.06  -0.02  -0.01    -0.01  -0.01  -0.01    -0.01   0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --    814.4460               827.9605               834.5613
 Red. masses --      2.7915                 1.4916                 1.7777
 Frc consts  --      1.0910                 0.6025                 0.7295
 IR Inten    --     13.6835                 9.1212                 9.6949
 RamAct Fr= 1--      3.5266                 0.5109                 1.0021
  Dep-P Fr= 1--      0.5883                 0.7341                 0.2955
  Dep-U Fr= 1--      0.7408                 0.8467                 0.4561
 Alpha2 Fr= 1--      0.0106                 0.0001                 0.0104
 Beta2  Fr= 1--      0.4354                 0.0721                 0.0762
 AlphaG Fr= 1--     -0.0250                 0.0019                -0.1301
 Gamma2 Fr= 1--      1.3735                -1.8249                -0.3359
 Delta2 Fr= 1--      0.1263                -0.3563                -0.1428
 Raman1 Fr= 1--      14.106                  2.044                  4.008
 ROA1   Fr= 1--     135.899               -186.593                -36.812
 CID1   Fr= 1--       9.634                -91.298                 -9.184
 Raman2 Fr= 1--       5.225                  0.865                  0.914
 ROA2   Fr= 1--      31.953                -40.948                 -6.919
 CID2   Fr= 1--       6.116                -47.327                 -7.568
 Raman3 Fr= 1--      10.449                  1.730                  1.828
 ROA3   Fr= 1--     135.899               -186.593                -36.812
 CID3   Fr= 1--      13.006               -107.831                -20.134
 RC180  Fr= 1--       0.482                  0.693                 -0.088
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.02  -0.00    -0.01  -0.01   0.06     0.02   0.00   0.08
     2   6    -0.05  -0.06   0.05     0.01   0.02  -0.02    -0.02  -0.02  -0.06
     3   6     0.11   0.06  -0.03    -0.03  -0.01   0.01     0.04   0.02   0.03
     4   6     0.06  -0.01   0.02    -0.01   0.00   0.09     0.01  -0.00  -0.07
     5   6     0.00   0.04  -0.05    -0.01  -0.01  -0.09     0.01   0.01   0.04
     6   6     0.01  -0.03  -0.07    -0.01   0.00  -0.05     0.01  -0.00   0.06
     7   6    -0.03   0.05   0.01     0.00  -0.01  -0.06    -0.02   0.01  -0.09
     8   1     0.17   0.04   0.11    -0.07  -0.00  -0.30     0.05   0.02  -0.28
     9   1     0.06   0.05   0.39     0.02  -0.03   0.35    -0.01   0.02  -0.26
    10   1     0.16  -0.08   0.38     0.00   0.00   0.52     0.02  -0.01  -0.31
    11   6     0.04  -0.14   0.05     0.00   0.04  -0.01    -0.01  -0.04  -0.01
    12   6    -0.02  -0.02   0.08     0.02   0.00  -0.04    -0.02   0.00   0.04
    13   6    -0.01   0.16  -0.05    -0.01  -0.05  -0.00     0.02   0.04   0.01
    14   1    -0.00  -0.12  -0.14     0.03   0.04   0.08    -0.04  -0.03  -0.07
    15   1    -0.06   0.15   0.04     0.03  -0.05  -0.03    -0.04   0.05   0.05
    16   1    -0.14   0.22   0.28     0.05  -0.08  -0.10    -0.04   0.06   0.08
    17   1     0.07   0.01  -0.25    -0.02  -0.01   0.07     0.01   0.01  -0.05
    18   8    -0.10   0.00   0.04     0.01   0.01  -0.00    -0.00  -0.01   0.00
    19   8     0.07  -0.04  -0.09    -0.01   0.01   0.02     0.00  -0.01  -0.01
    20   1     0.02  -0.11   0.11    -0.01   0.01   0.00    -0.00  -0.02  -0.01
    21   6    -0.05   0.05   0.00     0.01  -0.01  -0.06    -0.03   0.02  -0.09
    22   6    -0.00   0.01  -0.04     0.00  -0.00   0.01     0.01   0.00   0.12
    23   6    -0.09  -0.08   0.05     0.03   0.02   0.06    -0.04  -0.02  -0.05
    24   8     0.04  -0.02   0.01    -0.01   0.01   0.00     0.01  -0.01  -0.03
    25   6     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.01   0.01  -0.00
    26   1    -0.06   0.06  -0.01     0.04  -0.02   0.34     0.02   0.00   0.55
    27   1    -0.09   0.01   0.05     0.06  -0.02   0.40     0.02  -0.00   0.53
    28   1    -0.22  -0.04  -0.30     0.02   0.02  -0.38    -0.06  -0.02   0.25
    29   1    -0.01  -0.01   0.00     0.01  -0.00   0.00    -0.01  -0.01  -0.00
    30   1     0.02   0.06  -0.02    -0.01  -0.02  -0.01     0.01   0.03   0.02
    31   1    -0.02  -0.01   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    867.9941               883.5904               915.1010
 Red. masses --      3.0791                 1.8318                 1.5449
 Frc consts  --      1.3668                 0.8426                 0.7623
 IR Inten    --      6.3848                34.2662                13.0548
 RamAct Fr= 1--     32.0138                 2.1337                 0.7954
  Dep-P Fr= 1--      0.1009                 0.4682                 0.2541
  Dep-U Fr= 1--      0.1833                 0.6378                 0.4052
 Alpha2 Fr= 1--      0.5593                 0.0121                 0.0093
 Beta2  Fr= 1--      0.9781                 0.2268                 0.0537
 AlphaG Fr= 1--      0.3908                -0.1482                -0.0101
 Gamma2 Fr= 1--      0.9497                -0.1088                -0.2825
 Delta2 Fr= 1--     -0.1089                 0.2806                -0.0374
 Raman1 Fr= 1--     128.055                  8.535                  3.182
 ROA1   Fr= 1--      87.683                 -1.469                -28.318
 CID1   Fr= 1--       0.685                 -0.172                 -8.901
 Raman2 Fr= 1--      11.737                  2.722                  0.645
 ROA2   Fr= 1--      23.663                 -4.857                 -6.481
 CID2   Fr= 1--       2.016                 -1.784                -10.054
 Raman3 Fr= 1--      23.474                  5.443                  1.289
 ROA3   Fr= 1--      87.683                 -1.469                -28.318
 CID3   Fr= 1--       3.735                 -0.270                -21.965
 RC180  Fr= 1--      -0.633                  0.276                 -0.190
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03  -0.03     0.00   0.00  -0.05     0.01   0.00   0.09
     2   6    -0.08  -0.04  -0.01     0.00  -0.01   0.14    -0.01   0.00  -0.03
     3   6     0.16   0.08   0.01     0.01   0.01   0.00    -0.01   0.01  -0.17
     4   6     0.03  -0.03   0.02     0.00  -0.00   0.04     0.00  -0.00   0.07
     5   6     0.05  -0.01  -0.01     0.00  -0.00  -0.06     0.01  -0.01  -0.00
     6   6     0.03   0.01  -0.01    -0.00   0.00  -0.08     0.01   0.00   0.02
     7   6    -0.03  -0.01   0.02    -0.00  -0.00   0.02    -0.00  -0.00  -0.02
     8   1     0.31   0.03  -0.19     0.03   0.00   0.04     0.10  -0.01   0.90
     9   1     0.05  -0.00  -0.04     0.04  -0.01   0.45     0.01  -0.01  -0.02
    10   1     0.15  -0.02   0.06     0.03  -0.00   0.28    -0.01   0.01  -0.07
    11   6    -0.15   0.06  -0.10    -0.02   0.01  -0.00    -0.01   0.02   0.01
    12   6    -0.06   0.03  -0.03     0.00   0.00  -0.02     0.00  -0.00  -0.03
    13   6     0.04  -0.08   0.03     0.00  -0.01  -0.00    -0.00  -0.01  -0.01
    14   1    -0.23   0.06  -0.04    -0.03   0.01   0.02    -0.02   0.02   0.02
    15   1    -0.04   0.02   0.34     0.00  -0.01   0.04     0.01  -0.02   0.04
    16   1     0.27  -0.18  -0.34     0.05  -0.04  -0.07     0.06  -0.05  -0.09
    17   1     0.07  -0.00   0.20     0.01  -0.00   0.03     0.02  -0.01   0.02
    18   8     0.09  -0.02  -0.02     0.01  -0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.06   0.03   0.09    -0.01   0.00   0.01    -0.01   0.00   0.01
    20   1    -0.03   0.04  -0.09    -0.01  -0.00  -0.00     0.01   0.03   0.01
    21   6    -0.05   0.03   0.03    -0.01   0.00  -0.02    -0.00  -0.00  -0.04
    22   6    -0.03   0.02  -0.04     0.00   0.00   0.09    -0.00   0.00   0.02
    23   6    -0.15  -0.08   0.06    -0.03  -0.00  -0.17    -0.02  -0.00   0.01
    24   8     0.07  -0.05   0.00     0.01  -0.00  -0.02     0.01  -0.01  -0.01
    25   6     0.03   0.03  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1    -0.11   0.02  -0.08    -0.01  -0.00   0.04    -0.02  -0.00  -0.01
    27   1    -0.06   0.04  -0.11    -0.00   0.00  -0.00     0.03  -0.00   0.31
    28   1    -0.33  -0.02  -0.20     0.04  -0.02   0.79    -0.03   0.00   0.02
    29   1    -0.04  -0.01   0.00    -0.01   0.00  -0.00    -0.01  -0.00  -0.00
    30   1     0.05   0.15  -0.01     0.01   0.02   0.03     0.01   0.02   0.00
    31   1    -0.04  -0.01   0.01    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    949.1285               963.4878               974.7275
 Red. masses --      4.2768                 1.3055                 1.3530
 Frc consts  --      2.2700                 0.7140                 0.7574
 IR Inten    --     25.2590                 0.2282                 0.4546
 RamAct Fr= 1--      0.5917                 1.6555                 1.5421
  Dep-P Fr= 1--      0.7397                 0.7334                 0.4049
  Dep-U Fr= 1--      0.8504                 0.8462                 0.5764
 Alpha2 Fr= 1--      0.0001                 0.0005                 0.0112
 Beta2  Fr= 1--      0.0839                 0.2335                 0.1482
 AlphaG Fr= 1--     -0.0001                 0.0219                -0.1344
 Gamma2 Fr= 1--     -1.7277                -0.0252                -1.7286
 Delta2 Fr= 1--      0.7856                -0.1871                -0.2489
 Raman1 Fr= 1--       2.367                  6.622                  6.169
 ROA1   Fr= 1--    -140.715                 -8.410               -173.911
 CID1   Fr= 1--     -59.458                 -1.270                -28.193
 Raman2 Fr= 1--       1.006                  2.802                  1.778
 ROA2   Fr= 1--     -47.749                  0.891                -39.495
 CID2   Fr= 1--     -47.452                  0.318                -22.214
 Raman3 Fr= 1--       2.013                  5.603                  3.556
 ROA3   Fr= 1--    -140.715                 -8.410               -173.911
 CID3   Fr= 1--     -69.920                 -1.501                -48.909
 RC180  Fr= 1--       0.701                  0.692                  0.153
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.07   0.00     0.00  -0.00   0.02     0.00  -0.01  -0.01
     2   6     0.09  -0.06  -0.00     0.00  -0.00   0.01     0.00  -0.00  -0.02
     3   6     0.08  -0.18  -0.03     0.00  -0.00  -0.03     0.01   0.01   0.02
     4   6     0.13  -0.02   0.01     0.00  -0.00   0.01    -0.01  -0.00   0.01
     5   6    -0.17   0.24   0.03    -0.00   0.00  -0.01    -0.01   0.00  -0.12
     6   6    -0.04  -0.01  -0.01     0.00   0.00   0.01     0.01   0.01   0.11
     7   6    -0.03   0.06   0.01    -0.01   0.00  -0.12     0.00  -0.01   0.02
     8   1     0.11  -0.19   0.08     0.02  -0.01   0.15     0.01   0.01  -0.06
     9   1    -0.26   0.17  -0.03     0.00   0.00   0.09     0.04  -0.02   0.69
    10   1     0.22  -0.08   0.08    -0.00   0.00  -0.06    -0.07   0.03  -0.67
    11   6    -0.04  -0.01  -0.08    -0.00   0.00   0.00    -0.01  -0.00   0.01
    12   6    -0.07   0.02   0.02     0.00  -0.00  -0.01     0.01   0.00  -0.02
    13   6     0.01  -0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.01  -0.00
    14   1    -0.13   0.00  -0.11    -0.01   0.00   0.01    -0.03  -0.00   0.05
    15   1    -0.08   0.09   0.31     0.00  -0.00   0.01     0.01  -0.02  -0.02
    16   1     0.13  -0.03  -0.13     0.01  -0.01  -0.02     0.01  -0.03  -0.03
    17   1     0.07   0.01   0.09     0.00  -0.00   0.01    -0.02  -0.00   0.03
    18   8     0.02  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    19   8    -0.02   0.01   0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.02   0.01   0.03     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6    -0.12   0.16   0.00     0.01   0.00   0.10    -0.01   0.03  -0.01
    22   6     0.09  -0.04  -0.01     0.00  -0.00  -0.01     0.01  -0.00  -0.00
    23   6     0.17  -0.10  -0.02     0.00  -0.00  -0.00     0.01  -0.03   0.02
    24   8    -0.08   0.08   0.01    -0.00   0.00   0.01    -0.00   0.01   0.00
    25   6    -0.06  -0.06   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    26   1     0.16   0.01  -0.06     0.07  -0.02   0.73     0.03  -0.02  -0.09
    27   1    -0.24   0.04   0.09    -0.06   0.02  -0.64    -0.00   0.04   0.04
    28   1     0.32  -0.15  -0.01     0.01  -0.01  -0.01     0.02  -0.03  -0.07
    29   1     0.07   0.01   0.00     0.00   0.00   0.00     0.01  -0.00   0.00
    30   1    -0.08  -0.26   0.00    -0.00  -0.01  -0.00    -0.01  -0.02  -0.00
    31   1     0.07   0.01  -0.01     0.00  -0.00   0.00     0.01   0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    982.3063              1012.6412              1061.8872
 Red. masses --      3.3120                 1.7481                 4.7693
 Frc consts  --      1.8829                 1.0561                 3.1686
 IR Inten    --      0.6264                 6.9001                53.3683
 RamAct Fr= 1--     20.1575                 5.9353                 4.3966
  Dep-P Fr= 1--      0.1294                 0.1770                 0.2285
  Dep-U Fr= 1--      0.2292                 0.3008                 0.3720
 Alpha2 Fr= 1--      0.3282                 0.0856                 0.0553
 Beta2  Fr= 1--      0.7700                 0.2976                 0.2726
 AlphaG Fr= 1--      0.0791                 0.0789                 0.0110
 Gamma2 Fr= 1--      1.3392                -0.9945                 0.1805
 Delta2 Fr= 1--      0.5893                -1.7621                 0.0495
 Raman1 Fr= 1--      80.630                 23.741                 17.587
 ROA1   Fr= 1--     147.418               -151.862                 18.909
 CID1   Fr= 1--       1.828                 -6.397                  1.075
 Raman2 Fr= 1--       9.240                  3.571                  3.271
 ROA2   Fr= 1--      27.426                 -9.771                  3.935
 CID2   Fr= 1--       2.968                 -2.736                  1.203
 Raman3 Fr= 1--      18.479                  7.142                  6.542
 ROA3   Fr= 1--     147.418               -151.862                 18.909
 CID3   Fr= 1--       7.978                -21.263                  2.891
 RC180  Fr= 1--      -0.542                 -0.398                 -0.256
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.00     0.02   0.01  -0.00    -0.02   0.01   0.00
     2   6    -0.02  -0.02  -0.00     0.01  -0.02  -0.00    -0.04  -0.04   0.00
     3   6    -0.01  -0.16  -0.00     0.01  -0.03   0.01     0.02   0.04  -0.00
     4   6     0.08   0.01   0.00    -0.05  -0.06  -0.02     0.01  -0.01  -0.00
     5   6    -0.04   0.14  -0.03    -0.02   0.10   0.02     0.01  -0.02  -0.00
     6   6     0.01  -0.13   0.03     0.03   0.01  -0.01     0.00   0.03   0.00
     7   6    -0.00   0.12   0.00    -0.01   0.01   0.00    -0.08  -0.06   0.01
     8   1    -0.01  -0.17   0.00     0.12  -0.07  -0.05     0.06   0.03   0.00
     9   1     0.07   0.21   0.21     0.04   0.17  -0.08    -0.05  -0.08   0.00
    10   1     0.25  -0.21  -0.20     0.22  -0.04   0.01     0.04   0.02  -0.00
    11   6     0.00   0.00  -0.05    -0.06  -0.06   0.11     0.00  -0.01  -0.01
    12   6    -0.05  -0.00   0.03     0.08   0.03  -0.10    -0.01   0.01   0.00
    13   6    -0.00  -0.02  -0.00     0.02   0.06   0.02     0.00   0.00  -0.00
    14   1     0.06   0.00  -0.15    -0.39  -0.04   0.47    -0.02  -0.01   0.02
    15   1    -0.07   0.12   0.22     0.15  -0.31  -0.33     0.00  -0.02   0.02
    16   1     0.06   0.06  -0.00    -0.02  -0.24  -0.18     0.01  -0.02  -0.03
    17   1     0.10  -0.01  -0.06    -0.20   0.02   0.27    -0.01   0.01   0.05
    18   8     0.01   0.00  -0.00    -0.02  -0.01   0.00    -0.00  -0.00  -0.00
    19   8    -0.01   0.00   0.02     0.01  -0.01  -0.03    -0.00  -0.00   0.00
    20   1    -0.01   0.00   0.02     0.01  -0.01  -0.02    -0.00   0.00   0.00
    21   6     0.08  -0.22  -0.01     0.00  -0.02  -0.00     0.03  -0.12  -0.01
    22   6    -0.07   0.01   0.00    -0.01   0.00   0.00     0.18   0.11  -0.01
    23   6    -0.02   0.22   0.01    -0.01   0.02   0.00    -0.03   0.06   0.00
    24   8     0.03  -0.05  -0.00     0.00  -0.01  -0.00     0.10   0.30  -0.00
    25   6     0.04   0.05  -0.00     0.01   0.01  -0.00    -0.11  -0.33   0.00
    26   1    -0.36   0.23   0.03    -0.07   0.03   0.00    -0.33   0.01   0.03
    27   1    -0.03  -0.33  -0.01     0.00  -0.02   0.00    -0.20  -0.35   0.01
    28   1    -0.15   0.26   0.00    -0.05   0.03   0.01    -0.43   0.18   0.04
    29   1    -0.03   0.01  -0.00    -0.00   0.00  -0.00    -0.12  -0.25  -0.02
    30   1     0.05   0.15  -0.00     0.01   0.02  -0.00    -0.09  -0.16   0.00
    31   1    -0.03   0.01   0.01    -0.00   0.00   0.00    -0.11  -0.25   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1089.0324              1103.9385              1151.3295
 Red. masses --      1.7766                 2.5878                 1.4719
 Frc consts  --      1.2414                 1.8581                 1.1496
 IR Inten    --     15.3404                10.1019                13.3744
 RamAct Fr= 1--      6.1908                12.5729                 3.3161
  Dep-P Fr= 1--      0.1686                 0.3118                 0.5148
  Dep-U Fr= 1--      0.2885                 0.4753                 0.6797
 Alpha2 Fr= 1--      0.0913                 0.1245                 0.0153
 Beta2  Fr= 1--      0.2977                 0.9961                 0.3756
 AlphaG Fr= 1--     -0.1176                 0.0675                 0.0098
 Gamma2 Fr= 1--      0.9711                -0.6282                 0.5668
 Delta2 Fr= 1--     -0.0059                 1.2653                 1.9647
 Raman1 Fr= 1--      24.763                 50.292                 13.264
 ROA1   Fr= 1--      93.035                -19.818                117.285
 CID1   Fr= 1--       3.757                 -0.394                  8.842
 Raman2 Fr= 1--       3.572                 11.953                  4.508
 ROA2   Fr= 1--      23.353                -25.200                 -2.115
 CID2   Fr= 1--       6.538                 -2.108                 -0.469
 Raman3 Fr= 1--       7.144                 23.905                  9.015
 ROA3   Fr= 1--      93.035                -19.818                117.285
 CID3   Fr= 1--      13.023                 -0.829                 13.010
 RC180  Fr= 1--      -0.423                 -0.049                  0.359
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00     0.03   0.02  -0.00     0.00   0.08   0.00
     2   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.01   0.05  -0.00
     3   6     0.01   0.00   0.01     0.03  -0.05   0.00    -0.03  -0.06   0.00
     4   6     0.06   0.05  -0.05    -0.04  -0.01  -0.02    -0.02  -0.01  -0.00
     5   6     0.01  -0.05   0.01    -0.02   0.03   0.01     0.01   0.04   0.00
     6   6    -0.02  -0.02   0.00     0.00  -0.01  -0.00    -0.01  -0.06   0.00
     7   6     0.01   0.01  -0.00    -0.00  -0.02  -0.00    -0.05  -0.06   0.00
     8   1    -0.12   0.04  -0.05     0.24  -0.12  -0.06     0.10  -0.11  -0.02
     9   1    -0.04  -0.10  -0.03     0.04   0.09  -0.00     0.21   0.22  -0.01
    10   1    -0.12   0.01   0.00     0.08  -0.03  -0.01    -0.07  -0.04   0.00
    11   6     0.03  -0.01   0.13    -0.11   0.20   0.15     0.04  -0.01  -0.00
    12   6    -0.10  -0.02  -0.11     0.06  -0.15  -0.06    -0.02   0.01  -0.00
    13   6     0.00   0.06   0.07    -0.04  -0.08   0.11     0.00   0.01  -0.02
    14   1     0.27  -0.04   0.32    -0.09   0.20  -0.17     0.15  -0.02   0.04
    15   1    -0.09   0.07   0.49    -0.03   0.21  -0.14    -0.02   0.01   0.09
    16   1     0.37  -0.13  -0.45    -0.04   0.25   0.19     0.05  -0.01  -0.05
    17   1     0.29  -0.06   0.04     0.20  -0.12  -0.62     0.04  -0.00   0.03
    18   8    -0.04   0.01  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
    19   8     0.03  -0.01  -0.05     0.04   0.00  -0.07    -0.01   0.00   0.01
    20   1     0.03  -0.01  -0.06     0.07  -0.01  -0.27    -0.01   0.00   0.07
    21   6    -0.00  -0.00   0.00    -0.02   0.01   0.00     0.04   0.03  -0.00
    22   6     0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.04  -0.00   0.00
    23   6     0.01   0.01  -0.00    -0.01  -0.02   0.00    -0.02  -0.07  -0.00
    24   8    -0.00  -0.00   0.00     0.01   0.02  -0.00     0.04   0.04  -0.00
    25   6    -0.00   0.00   0.00    -0.00  -0.02  -0.00     0.00  -0.04  -0.00
    26   1     0.04   0.00  -0.00    -0.05  -0.00   0.00    -0.41   0.05   0.04
    27   1    -0.05  -0.05   0.00     0.01   0.03   0.00     0.55   0.52  -0.03
    28   1     0.04  -0.00  -0.00    -0.01  -0.02   0.00     0.12  -0.11  -0.01
    29   1     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.04  -0.04  -0.01
    30   1    -0.00  -0.01   0.00    -0.00   0.00   0.00     0.02   0.09   0.00
    31   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.04  -0.04   0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1174.0385              1175.9684              1183.7967
 Red. masses --      1.2768                 2.2389                 1.3156
 Frc consts  --      1.0369                 1.8242                 1.0862
 IR Inten    --      0.8435                36.6029                 6.7018
 RamAct Fr= 1--      0.7713                46.1628                 2.1778
  Dep-P Fr= 1--      0.7497                 0.4808                 0.6303
  Dep-U Fr= 1--      0.8570                 0.6493                 0.7733
 Alpha2 Fr= 1--      0.0000                 0.2487                 0.0047
 Beta2  Fr= 1--      0.1102                 4.9959                 0.2807
 AlphaG Fr= 1--      0.0029                -0.0764                 0.0031
 Gamma2 Fr= 1--     -0.0013                -9.8882                -0.0921
 Delta2 Fr= 1--     -0.0042                -1.8632                 0.1911
 Raman1 Fr= 1--       3.085                184.651                  8.711
 ROA1   Fr= 1--      -0.256              -1008.890                 -2.726
 CID1   Fr= 1--      -0.083                 -5.464                 -0.313
 Raman2 Fr= 1--       1.322                 59.950                  3.368
 ROA2   Fr= 1--       0.004               -222.411                 -3.738
 CID2   Fr= 1--       0.003                 -3.710                 -1.110
 Raman3 Fr= 1--       2.644                119.901                  6.736
 ROA3   Fr= 1--      -0.256              -1008.890                 -2.726
 CID3   Fr= 1--      -0.097                 -8.414                 -0.405
 RC180  Fr= 1--       0.714                  0.299                  0.547
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.04  -0.02  -0.00
     2   6    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.01   0.07   0.00
     3   6     0.00  -0.00  -0.00    -0.02   0.02  -0.01     0.01  -0.05  -0.00
     4   6    -0.00   0.00   0.00     0.07   0.00   0.02     0.01   0.02   0.01
     5   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.01     0.06   0.03  -0.01
     6   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.06  -0.05   0.00
     7   6     0.00  -0.00   0.00    -0.02   0.01   0.00     0.02   0.00  -0.00
     8   1     0.00  -0.00  -0.00    -0.24   0.10   0.06    -0.06  -0.03   0.01
     9   1     0.00   0.00  -0.00    -0.11  -0.11   0.03     0.53   0.44  -0.03
    10   1     0.00  -0.00  -0.00     0.02  -0.01   0.00    -0.53   0.09   0.05
    11   6    -0.00   0.00   0.00    -0.00  -0.05  -0.10    -0.01  -0.02  -0.02
    12   6     0.00  -0.00  -0.00     0.00   0.07   0.02     0.01   0.02   0.01
    13   6     0.00   0.00  -0.00    -0.04  -0.04   0.25    -0.00  -0.00   0.03
    14   1     0.00  -0.00   0.00    -0.23  -0.02  -0.31    -0.06  -0.01  -0.03
    15   1    -0.00   0.00  -0.00     0.04  -0.10  -0.06     0.02  -0.04  -0.04
    16   1    -0.00   0.00   0.00    -0.05  -0.09  -0.04    -0.03  -0.03   0.00
    17   1     0.00  -0.00  -0.00    -0.14   0.06   0.21    -0.04   0.02   0.04
    18   8     0.00  -0.00   0.00    -0.06   0.03  -0.02    -0.00   0.00  -0.00
    19   8    -0.00   0.00   0.00     0.08  -0.02  -0.07     0.01  -0.00  -0.01
    20   1    -0.00  -0.00   0.00     0.16  -0.02  -0.65     0.02  -0.00  -0.07
    21   6     0.00  -0.00   0.00     0.02   0.00  -0.00    -0.03   0.01   0.00
    22   6    -0.00   0.00   0.00    -0.01  -0.00   0.00    -0.02  -0.02   0.00
    23   6     0.00   0.00   0.00     0.01  -0.01  -0.00    -0.04   0.00   0.00
    24   8    -0.01   0.00  -0.06     0.00   0.00  -0.00     0.02   0.02  -0.00
    25   6     0.01  -0.00   0.14    -0.00  -0.00   0.00     0.00  -0.03  -0.00
    26   1     0.00  -0.00  -0.00    -0.21   0.07   0.02     0.25  -0.07  -0.02
    27   1    -0.00  -0.00  -0.01     0.18   0.15  -0.01    -0.25  -0.19   0.02
    28   1    -0.00   0.00  -0.02     0.02  -0.01  -0.00     0.06  -0.03  -0.01
    29   1     0.17   0.62  -0.18     0.00   0.00  -0.00    -0.02  -0.02  -0.01
    30   1    -0.02   0.01  -0.28     0.00   0.01  -0.00     0.01   0.06   0.00
    31   1    -0.20  -0.62  -0.17     0.00   0.00   0.00    -0.02  -0.02   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1192.3048              1205.0676              1224.6997
 Red. masses --      1.4867                 1.5172                 1.7611
 Frc consts  --      1.2452                 1.2982                 1.5563
 IR Inten    --     16.3939                37.9711                63.2354
 RamAct Fr= 1--      3.8401                69.7952                24.4778
  Dep-P Fr= 1--      0.6253                 0.1763                 0.2024
  Dep-U Fr= 1--      0.7695                 0.2998                 0.3367
 Alpha2 Fr= 1--      0.0087                 1.0086                 0.3303
 Beta2  Fr= 1--      0.4925                 3.4869                 1.3737
 AlphaG Fr= 1--     -0.0019                -0.0867                -0.0330
 Gamma2 Fr= 1--      4.4269                 1.1078                -0.3838
 Delta2 Fr= 1--     -1.1514                 1.7686                -0.0383
 Raman1 Fr= 1--      15.360                279.181                 97.911
 ROA1   Fr= 1--     388.139                162.942                -38.070
 CID1   Fr= 1--      25.269                  0.584                 -0.389
 Raman2 Fr= 1--       5.910                 41.843                 16.484
 ROA2   Fr= 1--     115.457                 12.437                 -8.905
 CID2   Fr= 1--      19.537                  0.297                 -0.540
 Raman3 Fr= 1--      11.819                 83.686                 32.968
 ROA3   Fr= 1--     388.139                162.942                -38.070
 CID3   Fr= 1--      32.840                  1.947                 -1.155
 RC180  Fr= 1--       0.539                 -0.400                 -0.327
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.04   0.01    -0.03   0.04   0.00     0.03  -0.00  -0.00
     2   6    -0.08   0.05   0.01     0.02  -0.02  -0.00     0.12  -0.06  -0.01
     3   6     0.02  -0.01  -0.00    -0.01  -0.02  -0.00    -0.03  -0.00   0.00
     4   6    -0.06   0.01   0.01    -0.10  -0.03   0.01    -0.05  -0.04   0.00
     5   6    -0.03  -0.02   0.00    -0.01   0.02   0.00    -0.02   0.03   0.00
     6   6     0.05  -0.03  -0.00     0.00   0.03   0.00    -0.00   0.06   0.00
     7   6     0.04  -0.03  -0.00     0.00  -0.04  -0.00    -0.01   0.01   0.00
     8   1     0.41  -0.13  -0.03     0.49  -0.18  -0.04     0.11  -0.05  -0.01
     9   1    -0.01  -0.00   0.01     0.12   0.15  -0.00    -0.07  -0.00   0.01
    10   1     0.38  -0.14  -0.04    -0.06   0.05   0.01    -0.23   0.13   0.02
    11   6     0.03  -0.01  -0.03     0.07  -0.00  -0.03     0.04   0.01  -0.00
    12   6    -0.01   0.03   0.01    -0.02   0.03   0.01    -0.02   0.01  -0.00
    13   6    -0.00   0.01   0.04    -0.01   0.00   0.05    -0.00  -0.00   0.02
    14   1     0.20  -0.03  -0.04     0.31  -0.02  -0.08     0.13   0.00  -0.05
    15   1     0.01  -0.03   0.01    -0.01  -0.02   0.05    -0.01   0.01   0.04
    16   1     0.01  -0.03  -0.03     0.04  -0.03  -0.06     0.04   0.00  -0.03
    17   1    -0.02   0.02   0.08     0.02   0.02   0.09     0.03   0.00   0.02
    18   8    -0.02   0.01  -0.00    -0.02   0.01  -0.01    -0.01   0.00  -0.00
    19   8     0.01  -0.01  -0.01     0.02  -0.01  -0.01     0.01  -0.00  -0.01
    20   1     0.03  -0.01  -0.12     0.03  -0.01  -0.12     0.01  -0.00  -0.02
    21   6    -0.03  -0.02   0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    22   6    -0.05   0.02   0.00     0.08   0.02  -0.01     0.02   0.00  -0.00
    23   6     0.02  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.03  -0.00
    24   8     0.01   0.03   0.00    -0.01  -0.05  -0.00    -0.11   0.01   0.01
    25   6     0.04  -0.04  -0.00    -0.06   0.06   0.01     0.13  -0.01  -0.01
    26   1     0.42  -0.15  -0.04     0.10  -0.08  -0.01    -0.01   0.01   0.00
    27   1    -0.10  -0.09   0.01    -0.02  -0.05   0.00    -0.05  -0.05   0.00
    28   1     0.39  -0.12  -0.04    -0.40   0.13   0.04    -0.41   0.09   0.04
    29   1    -0.14  -0.08  -0.02     0.19   0.11   0.04    -0.35  -0.17  -0.05
    30   1     0.07   0.29   0.00    -0.11  -0.43  -0.00     0.18   0.55  -0.00
    31   1    -0.13  -0.08   0.04     0.19   0.11  -0.07    -0.34  -0.17   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1268.2530              1283.2225              1299.5873
 Red. masses --      3.6075                 1.5270                 1.6895
 Frc consts  --      3.4187                 1.4815                 1.6812
 IR Inten    --     92.4369                32.8616                56.7176
 RamAct Fr= 1--     11.5288                 6.9319                 5.5865
  Dep-P Fr= 1--      0.2982                 0.6531                 0.7218
  Dep-U Fr= 1--      0.4595                 0.7901                 0.8384
 Alpha2 Fr= 1--      0.1189                 0.0120                 0.0027
 Beta2  Fr= 1--      0.8828                 0.9128                 0.7806
 AlphaG Fr= 1--      0.0317                 0.0208                 0.0054
 Gamma2 Fr= 1--      0.0808                -4.3002                11.9284
 Delta2 Fr= 1--     -0.2776                -0.4160                -0.2052
 Raman1 Fr= 1--      46.115                 27.728                 22.346
 ROA1   Fr= 1--      -1.125               -426.134               1138.557
 CID1   Fr= 1--      -0.024                -15.369                 50.951
 Raman2 Fr= 1--      10.594                 10.954                  9.367
 ROA2   Fr= 1--       4.161                -99.878                287.923
 CID2   Fr= 1--       0.393                 -9.118                 30.737
 Raman3 Fr= 1--      21.188                 21.908                 18.735
 ROA3   Fr= 1--      -1.125               -426.134               1138.557
 CID3   Fr= 1--      -0.053                -19.451                 60.772
 RC180  Fr= 1--      -0.081                  0.580                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.24  -0.08  -0.02     0.03  -0.06  -0.00    -0.00   0.10   0.00
     2   6     0.09  -0.02  -0.01    -0.02  -0.03   0.00     0.10   0.08  -0.01
     3   6    -0.07   0.01   0.01     0.03  -0.04  -0.01    -0.04  -0.03   0.00
     4   6    -0.19  -0.14   0.01    -0.00   0.07   0.01     0.06   0.02  -0.00
     5   6    -0.02   0.01   0.00     0.01  -0.02  -0.00    -0.02   0.02   0.00
     6   6     0.00   0.07   0.00    -0.00   0.01  -0.00     0.02  -0.06  -0.00
     7   6     0.01   0.07   0.00     0.01   0.02   0.00    -0.01  -0.02   0.00
     8   1    -0.30   0.07   0.02     0.13  -0.08   0.00    -0.17   0.01   0.02
     9   1    -0.03   0.01   0.01    -0.06  -0.07  -0.00    -0.20  -0.14   0.01
    10   1     0.44  -0.06  -0.04    -0.16   0.06   0.02     0.08  -0.08  -0.01
    11   6     0.10   0.03  -0.00    -0.14  -0.01  -0.05    -0.03   0.00  -0.04
    12   6    -0.03   0.01   0.00     0.05  -0.00   0.02     0.01  -0.03   0.01
    13   6    -0.01   0.00   0.00     0.03   0.05  -0.03     0.01   0.02  -0.04
    14   1     0.45   0.00  -0.09     0.65  -0.09   0.36    -0.02  -0.01   0.35
    15   1    -0.02   0.00   0.07     0.03   0.01  -0.13    -0.02   0.07   0.00
    16   1     0.09   0.01  -0.07    -0.10  -0.02   0.09    -0.03   0.05   0.08
    17   1     0.08   0.00   0.04    -0.13   0.01  -0.03    -0.02  -0.02  -0.06
    18   8    -0.02   0.01  -0.00    -0.02  -0.00   0.01    -0.02   0.00   0.01
    19   8     0.01  -0.00   0.01     0.01  -0.01   0.04     0.01  -0.01   0.04
    20   1     0.04   0.00  -0.17     0.07  -0.00  -0.40     0.06   0.01  -0.35
    21   6    -0.03   0.06   0.00    -0.00   0.01   0.00    -0.02  -0.01   0.00
    22   6    -0.15  -0.11   0.01     0.00   0.02  -0.00    -0.04  -0.07   0.00
    23   6    -0.11   0.04   0.01     0.01  -0.00  -0.00    -0.05  -0.02   0.00
    24   8     0.12   0.05  -0.01    -0.01  -0.01   0.00     0.04   0.02  -0.00
    25   6    -0.04  -0.05   0.00     0.00   0.00  -0.00    -0.01  -0.02   0.00
    26   1    -0.06   0.11   0.01    -0.30   0.12   0.03     0.52  -0.19  -0.05
    27   1    -0.27  -0.14   0.02    -0.03  -0.02   0.00     0.09   0.10  -0.01
    28   1     0.22  -0.06  -0.02     0.11  -0.03  -0.01    -0.48   0.11   0.04
    29   1     0.13   0.07  -0.01    -0.01  -0.00  -0.00     0.03   0.02  -0.01
    30   1    -0.03   0.01   0.00     0.00   0.01  -0.00    -0.01  -0.02   0.00
    31   1     0.13   0.07  -0.01    -0.01  -0.00   0.00     0.03   0.02   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1300.7338              1310.2521              1340.6064
 Red. masses --      2.1450                 1.6817                 1.7868
 Frc consts  --      2.1382                 1.7011                 1.8921
 IR Inten    --    108.0492               120.2947               119.6299
 RamAct Fr= 1--      1.7934                 4.8702                 5.9879
  Dep-P Fr= 1--      0.7082                 0.7446                 0.6930
  Dep-U Fr= 1--      0.8291                 0.8536                 0.8187
 Alpha2 Fr= 1--      0.0013                 0.0004                 0.0060
 Beta2  Fr= 1--      0.2478                 0.6929                 0.8170
 AlphaG Fr= 1--     -0.0004                -0.0072                -0.0037
 Gamma2 Fr= 1--      3.6597                -7.6914                -1.3777
 Delta2 Fr= 1--     -0.5738                -0.3636                 1.3187
 Raman1 Fr= 1--       7.174                 19.481                 23.952
 ROA1   Fr= 1--     332.966               -750.013                -90.060
 CID1   Fr= 1--      46.416                -38.500                 -3.760
 Raman2 Fr= 1--       2.974                  8.315                  9.804
 ROA2   Fr= 1--      92.423               -181.685                -43.614
 CID2   Fr= 1--      31.077                -21.852                 -4.448
 Raman3 Fr= 1--       5.948                 16.629                 19.609
 ROA3   Fr= 1--     332.966               -750.013                -90.060
 CID3   Fr= 1--      55.980                -45.103                 -4.593
 RC180  Fr= 1--       0.658                  0.707                  0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.08   0.01     0.05   0.03  -0.00     0.01  -0.01  -0.00
     2   6     0.07  -0.12  -0.01     0.04   0.06  -0.00     0.00  -0.01   0.00
     3   6     0.01   0.05   0.00    -0.01  -0.06  -0.00    -0.01   0.02  -0.00
     4   6     0.03   0.02  -0.00     0.02   0.07   0.00    -0.01  -0.03   0.02
     5   6     0.02   0.03  -0.00    -0.01  -0.01  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.03   0.00     0.02  -0.04  -0.00    -0.01   0.01   0.00
     7   6    -0.04   0.09   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     8   1     0.56  -0.12  -0.05    -0.11  -0.04   0.01     0.02   0.01   0.04
     9   1    -0.20  -0.16   0.01    -0.16  -0.15   0.01     0.03   0.03   0.01
    10   1    -0.47   0.18   0.05     0.06  -0.05  -0.00     0.04  -0.00  -0.00
    11   6    -0.02  -0.01   0.02    -0.11  -0.02   0.03     0.02   0.03  -0.17
    12   6     0.01   0.01  -0.01     0.04   0.05  -0.01    -0.02  -0.06   0.05
    13   6    -0.00  -0.01   0.01    -0.00   0.01   0.09     0.00   0.02   0.15
    14   1    -0.06   0.00  -0.11     0.44  -0.06  -0.39    -0.07   0.02   0.77
    15   1     0.01  -0.01  -0.00     0.07  -0.10  -0.11    -0.07   0.15  -0.04
    16   1    -0.01  -0.02  -0.01    -0.07  -0.12  -0.04     0.03   0.11   0.09
    17   1    -0.02   0.01   0.02    -0.14   0.05   0.11     0.03  -0.04  -0.18
    18   8     0.01  -0.00  -0.00     0.04  -0.02  -0.02     0.02  -0.01  -0.03
    19   8    -0.01   0.00  -0.02    -0.02   0.01  -0.08    -0.01   0.00  -0.08
    20   1    -0.03   0.00   0.14    -0.12  -0.01   0.62    -0.08   0.01   0.48
    21   6     0.01  -0.02  -0.00    -0.02   0.01   0.00     0.00   0.00  -0.00
    22   6    -0.14  -0.10   0.01    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    23   6    -0.00   0.07   0.00    -0.03  -0.03   0.00    -0.00   0.01   0.00
    24   8     0.09   0.04  -0.01     0.01   0.01  -0.00     0.00   0.00  -0.00
    25   6    -0.03  -0.04   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.25   0.00  -0.02     0.06  -0.03  -0.00    -0.01   0.00   0.00
    27   1     0.24   0.20  -0.02    -0.04  -0.01   0.00    -0.01  -0.01   0.00
    28   1     0.07   0.04  -0.01    -0.20   0.02   0.02     0.05  -0.01  -0.00
    29   1     0.10   0.06  -0.02     0.01   0.00  -0.00     0.00  -0.00   0.00
    30   1    -0.01   0.06   0.00    -0.00  -0.02   0.00    -0.00   0.01   0.00
    31   1     0.10   0.06   0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1382.2804              1409.2473              1417.2823
 Red. masses --      1.8367                 4.9484                 1.3618
 Frc consts  --      2.0677                 5.7901                 1.6117
 IR Inten    --      7.9560                 3.9000                11.6619
 RamAct Fr= 1--     16.6867               723.5026                52.6210
  Dep-P Fr= 1--      0.2554                 0.2258                 0.1713
  Dep-U Fr= 1--      0.4068                 0.3684                 0.2925
 Alpha2 Fr= 1--      0.1948                 9.1678                 0.7703
 Beta2  Fr= 1--      1.1314                44.4215                 2.5652
 AlphaG Fr= 1--      0.1452                -2.5163                -0.1322
 Gamma2 Fr= 1--      2.0425                -9.7700                -0.3919
 Delta2 Fr= 1--     -0.4465                 1.2599                 0.2887
 Raman1 Fr= 1--      66.747               2894.010                210.484
 ROA1   Fr= 1--     181.790               -897.601                -28.385
 CID1   Fr= 1--       2.724                 -0.310                 -0.135
 Raman2 Fr= 1--      13.577                533.058                 30.783
 ROA2   Fr= 1--      52.591               -244.559                -11.715
 CID2   Fr= 1--       3.874                 -0.459                 -0.381
 Raman3 Fr= 1--      27.154               1066.116                 61.565
 ROA3   Fr= 1--     181.790               -897.601                -28.385
 CID3   Fr= 1--       6.695                 -0.842                 -0.461
 RC180  Fr= 1--      -0.186                 -0.263                 -0.415
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.07  -0.00     0.09   0.28  -0.00    -0.00  -0.05  -0.00
     2   6     0.07   0.00  -0.01    -0.08  -0.28   0.00     0.01   0.05   0.00
     3   6    -0.09  -0.04   0.01    -0.16   0.06   0.02    -0.01   0.01   0.00
     4   6    -0.01   0.08   0.00     0.12  -0.18  -0.01    -0.00   0.01  -0.00
     5   6     0.01   0.04   0.00     0.17   0.10  -0.01     0.01  -0.01  -0.00
     6   6     0.06  -0.05  -0.01    -0.19   0.04   0.02    -0.01  -0.01   0.00
     7   6     0.06  -0.07  -0.01     0.03  -0.06  -0.00    -0.04   0.00   0.00
     8   1     0.24  -0.15  -0.02    -0.12   0.06   0.01     0.13  -0.03  -0.01
     9   1    -0.36  -0.30   0.02    -0.01  -0.08  -0.01     0.02   0.00  -0.01
    10   1    -0.33   0.07   0.03    -0.04  -0.02   0.01     0.11  -0.05  -0.01
    11   6     0.05  -0.02  -0.01    -0.08   0.01   0.01     0.00   0.00  -0.00
    12   6    -0.00  -0.01  -0.01     0.04  -0.01  -0.05     0.05  -0.04  -0.11
    13   6    -0.00  -0.01  -0.01     0.00   0.01   0.01    -0.01   0.00   0.01
    14   1    -0.31   0.02   0.04     0.40  -0.03  -0.04    -0.03   0.01   0.03
    15   1    -0.01   0.04   0.07     0.01   0.12   0.21     0.00   0.20   0.54
    16   1    -0.01   0.06   0.04    -0.20   0.04   0.12    -0.40   0.26   0.33
    17   1     0.01  -0.02   0.06    -0.19  -0.00   0.16    -0.23  -0.05   0.45
    18   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.00  -0.00
    19   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    20   1     0.01   0.00  -0.02    -0.00   0.01   0.01    -0.00  -0.00   0.02
    21   6     0.02   0.03  -0.00    -0.05  -0.05   0.00     0.03   0.03  -0.00
    22   6    -0.05   0.12   0.01    -0.00   0.07   0.00     0.04  -0.05  -0.00
    23   6    -0.07  -0.06   0.00     0.07   0.02  -0.01    -0.03   0.02   0.00
    24   8     0.02  -0.02  -0.00    -0.01  -0.01   0.00    -0.01   0.00   0.00
    25   6    -0.02  -0.00   0.00    -0.01   0.00   0.00     0.01   0.01  -0.00
    26   1    -0.27   0.03   0.02     0.35  -0.16  -0.03    -0.03  -0.00   0.00
    27   1    -0.33  -0.31   0.02     0.01   0.01  -0.00    -0.01  -0.01   0.00
    28   1     0.25  -0.17  -0.03     0.34  -0.06  -0.03     0.01   0.01  -0.00
    29   1     0.08   0.03   0.01     0.03   0.01   0.00    -0.04  -0.03   0.01
    30   1    -0.02   0.01   0.00    -0.00   0.03   0.00     0.01  -0.03  -0.00
    31   1     0.07   0.03  -0.03     0.02   0.01  -0.01    -0.04  -0.03  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1425.7671              1457.1558              1476.5356
 Red. masses --      2.9438                 3.4638                 1.2342
 Frc consts  --      3.5258                 4.3332                 1.5854
 IR Inten    --     72.5546                12.1027                 6.9391
 RamAct Fr= 1--     56.3530               142.9886                17.0922
  Dep-P Fr= 1--      0.1814                 0.2579                 0.5486
  Dep-U Fr= 1--      0.3071                 0.4100                 0.7085
 Alpha2 Fr= 1--      0.8037                 1.6575                 0.0659
 Beta2  Fr= 1--      2.8840                 9.7716                 2.0183
 AlphaG Fr= 1--      0.0523                 0.5036                -0.0288
 Gamma2 Fr= 1--     -0.3707                -1.7138                -2.2879
 Delta2 Fr= 1--     -3.9104                 1.0952                -0.5939
 Raman1 Fr= 1--     225.412                571.954                 68.369
 ROA1   Fr= 1--    -160.715               -129.479               -238.639
 CID1   Fr= 1--      -0.713                 -0.226                 -3.490
 Raman2 Fr= 1--      34.608                117.259                 24.219
 ROA2   Fr= 1--      22.387                -49.892                -50.158
 CID2   Fr= 1--       0.647                 -0.425                 -2.071
 Raman3 Fr= 1--      69.217                234.518                 48.438
 ROA3   Fr= 1--    -160.715               -129.479               -238.639
 CID3   Fr= 1--      -2.322                 -0.552                 -4.927
 RC180  Fr= 1--      -0.386                 -0.180                  0.417
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06  -0.00     0.17   0.00  -0.01    -0.02  -0.00   0.00
     2   6     0.03   0.08  -0.00    -0.17  -0.01   0.01     0.00   0.02   0.00
     3   6    -0.11   0.06   0.01    -0.10  -0.06   0.01    -0.02   0.01   0.00
     4   6     0.08  -0.02  -0.01    -0.06   0.18   0.01     0.03   0.01  -0.00
     5   6     0.12   0.05  -0.01     0.11  -0.04  -0.01     0.01  -0.02  -0.00
     6   6    -0.12  -0.06   0.01    -0.08  -0.01   0.01    -0.04   0.01   0.00
     7   6    -0.13  -0.03   0.01     0.12   0.03  -0.01     0.01  -0.03  -0.00
     8   1     0.44  -0.11  -0.04     0.34  -0.21  -0.03     0.09  -0.02  -0.01
     9   1    -0.14  -0.21   0.01    -0.09  -0.24   0.00     0.08   0.04  -0.01
    10   1     0.24  -0.18  -0.02     0.12  -0.09  -0.01     0.14  -0.05  -0.01
    11   6    -0.03  -0.01   0.01     0.06  -0.04  -0.01    -0.01  -0.00   0.00
    12   6    -0.02   0.02   0.06    -0.01   0.00   0.01     0.00   0.00   0.00
    13   6     0.01  -0.00  -0.01    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    14   1    -0.01  -0.01  -0.02    -0.39   0.01   0.03    -0.02  -0.00   0.00
    15   1    -0.01  -0.07  -0.29     0.00  -0.06  -0.02     0.01  -0.01   0.03
    16   1     0.21  -0.16  -0.18     0.03   0.05   0.01    -0.03  -0.06  -0.01
    17   1     0.07   0.03  -0.26     0.09  -0.01   0.02    -0.02   0.01  -0.05
    18   8    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   8    -0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   1     0.01   0.01  -0.04     0.01   0.01  -0.01    -0.00   0.00   0.00
    21   6     0.13   0.09  -0.01    -0.15   0.02   0.01     0.04   0.04  -0.00
    22   6     0.13  -0.11  -0.01     0.01  -0.15  -0.00     0.01  -0.02  -0.00
    23   6    -0.13   0.08   0.01     0.13   0.03  -0.01     0.03  -0.01  -0.00
    24   8    -0.05  -0.01   0.00    -0.00   0.04   0.00    -0.03  -0.02   0.00
    25   6     0.03   0.03  -0.00     0.03  -0.00  -0.00    -0.04  -0.09   0.00
    26   1     0.03  -0.10  -0.01    -0.14   0.13   0.01    -0.12   0.01   0.01
    27   1    -0.09  -0.13   0.00     0.07   0.25   0.00    -0.10  -0.09   0.01
    28   1     0.28  -0.03  -0.02    -0.38   0.20   0.04    -0.15   0.05   0.01
    29   1    -0.13  -0.13   0.04    -0.14   0.03  -0.06     0.28   0.40  -0.18
    30   1     0.01  -0.12  -0.00     0.02  -0.12  -0.00     0.03   0.57   0.01
    31   1    -0.14  -0.13  -0.02    -0.13   0.02   0.09     0.31   0.39   0.14
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.1591              1493.3446              1497.8078
 Red. masses --      1.0516                 1.0460                 1.0545
 Frc consts  --      1.3795                 1.3744                 1.3938
 IR Inten    --      8.6376                 8.7664                 7.7006
 RamAct Fr= 1--      5.3030                 9.7650                 6.2906
  Dep-P Fr= 1--      0.7442                 0.7500                 0.6373
  Dep-U Fr= 1--      0.8534                 0.8571                 0.7784
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0128
 Beta2  Fr= 1--      0.7542                 1.3950                 0.8162
 AlphaG Fr= 1--      0.0013                 0.0005                 0.0867
 Gamma2 Fr= 1--      3.0731                 0.0138                 2.7574
 Delta2 Fr= 1--     -0.1220                 0.0441                 2.2918
 Raman1 Fr= 1--      21.212                 39.060                 25.162
 ROA1   Fr= 1--     291.111                  2.739                338.054
 CID1   Fr= 1--      13.724                  0.070                 13.435
 Raman2 Fr= 1--       9.051                 16.740                  9.794
 ROA2   Fr= 1--      74.729                 -0.021                 47.844
 CID2   Fr= 1--       8.257                 -0.001                  4.885
 Raman3 Fr= 1--      18.101                 33.480                 19.588
 ROA3   Fr= 1--     291.111                  2.739                338.054
 CID3   Fr= 1--      16.082                  0.082                 17.258
 RC180  Fr= 1--       0.707                  0.714                  0.557
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.01   0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
     5   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.01  -0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00   0.00
     8   1    -0.02   0.01   0.00     0.00   0.00  -0.00    -0.01   0.00   0.00
     9   1    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.02  -0.02   0.01
    10   1    -0.03   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6    -0.02  -0.01   0.01    -0.00  -0.00   0.00    -0.03   0.01  -0.02
    12   6    -0.02  -0.04  -0.01    -0.00  -0.00  -0.00    -0.04   0.02  -0.02
    13   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1     0.04  -0.02  -0.06     0.00  -0.00  -0.00     0.04   0.00   0.04
    15   1    -0.10   0.26  -0.43    -0.00   0.00  -0.00     0.13  -0.61  -0.02
    16   1     0.46   0.52  -0.00     0.00   0.00  -0.00    -0.17   0.28   0.22
    17   1     0.02  -0.06   0.49    -0.00  -0.00   0.00     0.65  -0.05   0.14
    18   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.00   0.00
    19   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    21   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.00
    22   6     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    23   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
    24   8    -0.01  -0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00   0.00
    25   6    -0.00  -0.01   0.00    -0.01   0.00  -0.06    -0.00  -0.00   0.00
    26   1     0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.02  -0.01  -0.00
    27   1     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    28   1     0.00   0.00   0.00    -0.00   0.00  -0.03     0.02  -0.01  -0.00
    29   1     0.02   0.05  -0.02     0.48   0.11   0.03     0.02   0.00   0.00
    30   1     0.00   0.06  -0.00     0.06  -0.01   0.72     0.00   0.03   0.00
    31   1     0.03   0.05   0.02    -0.46  -0.11   0.11     0.02   0.00  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.2828              1525.5170              1546.3047
 Red. masses --      1.0645                 2.3856                 3.4774
 Frc consts  --      1.4230                 3.2710                 4.8989
 IR Inten    --     35.7912                47.3994                33.5843
 RamAct Fr= 1--      1.4832               160.6857                 1.3682
  Dep-P Fr= 1--      0.7294                 0.2367                 0.7144
  Dep-U Fr= 1--      0.8436                 0.3828                 0.8334
 Alpha2 Fr= 1--      0.0005                 1.9762                 0.0008
 Beta2  Fr= 1--      0.2085                10.2508                 0.1900
 AlphaG Fr= 1--     -0.0031                -0.2056                 0.0156
 Gamma2 Fr= 1--     -0.3327                -2.8438                -0.6735
 Delta2 Fr= 1--     -0.1540                 1.6133                 0.1140
 Raman1 Fr= 1--       5.933                642.743                  5.473
 ROA1   Fr= 1--     -36.865               -221.383                -61.009
 CID1   Fr= 1--      -6.214                 -0.344                -11.148
 Raman2 Fr= 1--       2.502                123.010                  2.281
 ROA2   Fr= 1--      -6.752                -81.158                -17.076
 CID2   Fr= 1--      -2.698                 -0.660                 -7.487
 Raman3 Fr= 1--       5.005                246.020                  4.561
 ROA3   Fr= 1--     -36.865               -221.383                -61.009
 CID3   Fr= 1--      -7.366                 -0.900                -13.376
 RC180  Fr= 1--       0.687                 -0.234                  0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00     0.09  -0.02  -0.01     0.13  -0.04  -0.01
     2   6     0.00  -0.00  -0.00    -0.10   0.03   0.01     0.14  -0.06  -0.01
     3   6     0.01   0.01  -0.00     0.06  -0.04  -0.01    -0.06  -0.05   0.00
     4   6     0.00  -0.02  -0.00    -0.12  -0.01   0.01     0.03   0.18   0.00
     5   6    -0.00   0.01   0.00     0.06   0.09  -0.00    -0.05  -0.15   0.00
     6   6     0.02  -0.01  -0.00     0.10  -0.07  -0.01    -0.12   0.11   0.01
     7   6     0.00  -0.01  -0.00    -0.11   0.06   0.01    -0.12   0.10   0.01
     8   1    -0.03   0.02   0.00    -0.20   0.03   0.02     0.18  -0.13  -0.02
     9   1    -0.02  -0.00   0.00    -0.34  -0.26   0.02     0.33   0.18  -0.03
    10   1    -0.04   0.01   0.00    -0.36   0.06   0.03     0.40  -0.05  -0.03
    11   6    -0.00   0.00  -0.00     0.04   0.01  -0.01     0.01  -0.03   0.00
    12   6    -0.00   0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00  -0.01
    14   1     0.03   0.00   0.00     0.00   0.01   0.01    -0.19  -0.00   0.00
    15   1     0.01  -0.02   0.01     0.01   0.01   0.09    -0.01   0.02  -0.04
    16   1    -0.01  -0.00   0.01    -0.06  -0.09  -0.01     0.04   0.03  -0.01
    17   1     0.02  -0.00  -0.01    -0.04   0.01  -0.08    -0.01  -0.00   0.04
    18   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00   0.00     0.00  -0.00  -0.01     0.00   0.01  -0.00
    21   6     0.01   0.01  -0.00    -0.04  -0.08   0.00    -0.03  -0.15  -0.00
    22   6    -0.01   0.00   0.00     0.15   0.02  -0.01     0.04   0.19   0.00
    23   6    -0.01   0.00   0.00    -0.06   0.04   0.01    -0.08  -0.05   0.01
    24   8     0.02  -0.01  -0.00    -0.05  -0.02   0.00    -0.00  -0.03  -0.00
    25   6     0.04  -0.03  -0.00    -0.02  -0.03   0.00    -0.01  -0.01   0.00
    26   1    -0.02  -0.00   0.00     0.35  -0.08  -0.03     0.40  -0.06  -0.03
    27   1    -0.03  -0.03   0.00     0.28   0.21  -0.02     0.27   0.12  -0.02
    28   1     0.04  -0.01  -0.00     0.22  -0.04  -0.02     0.24  -0.15  -0.02
    29   1    -0.39   0.40  -0.34     0.13   0.18  -0.08    -0.03   0.13  -0.08
    30   1    -0.01  -0.37  -0.01     0.01   0.26   0.01    -0.02  -0.04   0.00
    31   1    -0.32   0.39   0.42     0.14   0.18   0.07    -0.01   0.12   0.09
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1617.0717              1653.5329              1672.9576
 Red. masses --      7.0756                 5.6241                 6.1891
 Frc consts  --     10.9012                 9.0601                10.2057
 IR Inten    --      3.6891               116.7881                58.2518
 RamAct Fr= 1--     49.4915                15.5877               276.6638
  Dep-P Fr= 1--      0.1467                 0.3609                 0.4219
  Dep-U Fr= 1--      0.2559                 0.5303                 0.5934
 Alpha2 Fr= 1--      0.7715                 0.1321                 1.8915
 Beta2  Fr= 1--      2.1105                 1.3778                27.3639
 AlphaG Fr= 1--     -0.7537                -0.1448                -0.8602
 Gamma2 Fr= 1--      0.7487                -0.9769                 2.0345
 Delta2 Fr= 1--      0.3535                 2.5388                -4.2795
 Raman1 Fr= 1--     197.966                 62.351               1106.655
 ROA1   Fr= 1--      83.186                -12.542                 58.365
 CID1   Fr= 1--       0.420                 -0.201                  0.053
 Raman2 Fr= 1--      25.326                 16.533                328.367
 ROA2   Fr= 1--      15.140                -43.756                 83.063
 CID2   Fr= 1--       0.598                 -2.647                  0.253
 Raman3 Fr= 1--      50.651                 33.067                656.734
 ROA3   Fr= 1--      83.186                -12.542                 58.365
 CID3   Fr= 1--       1.642                 -0.379                  0.089
 RC180  Fr= 1--      -0.488                  0.061                  0.187
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.29  -0.00    -0.02  -0.01   0.00    -0.25   0.04   0.02
     2   6     0.04   0.29   0.00    -0.01  -0.01   0.00     0.24  -0.04  -0.02
     3   6    -0.12   0.16   0.01     0.21  -0.11  -0.02     0.22  -0.08  -0.02
     4   6     0.06  -0.22  -0.01    -0.20   0.10   0.02    -0.15   0.06   0.01
     5   6     0.16   0.16  -0.01     0.21   0.06  -0.02     0.18   0.06  -0.01
     6   6    -0.12  -0.10   0.01    -0.21  -0.00   0.02    -0.24   0.03   0.02
     7   6     0.11   0.11  -0.01    -0.23  -0.00   0.02     0.25  -0.03  -0.02
     8   1     0.32   0.03  -0.02    -0.31   0.04   0.03    -0.31   0.08   0.03
     9   1    -0.18  -0.16   0.01    -0.17  -0.31   0.01    -0.11  -0.23   0.00
    10   1     0.12  -0.19  -0.01     0.16  -0.13  -0.02     0.27  -0.14  -0.03
    11   6    -0.02   0.02   0.00     0.04  -0.01  -0.01     0.02  -0.01  -0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.01   0.00   0.01    -0.00   0.00   0.00
    14   1     0.15  -0.00  -0.00    -0.09   0.00   0.01    -0.05  -0.00   0.01
    15   1     0.00  -0.01   0.01     0.00   0.01   0.02     0.00   0.01   0.01
    16   1    -0.01  -0.00   0.00    -0.01  -0.01   0.00    -0.01  -0.00   0.00
    17   1     0.02  -0.00  -0.01    -0.01   0.00  -0.00    -0.01   0.00   0.00
    18   8    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    19   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.01     0.01  -0.00  -0.02     0.01  -0.01  -0.03
    21   6    -0.17  -0.19   0.01     0.23   0.06  -0.02    -0.19  -0.05   0.01
    22   6    -0.08   0.27   0.01    -0.20   0.10   0.02     0.13  -0.06  -0.01
    23   6     0.12  -0.18  -0.01     0.20  -0.10  -0.02    -0.20   0.07   0.02
    24   8     0.03  -0.01  -0.00     0.03  -0.01  -0.00    -0.01   0.01   0.00
    25   6    -0.01  -0.00   0.00     0.00   0.02  -0.00    -0.00  -0.01   0.00
    26   1    -0.06   0.18   0.01     0.19  -0.15  -0.02    -0.29   0.15   0.03
    27   1     0.17   0.15  -0.01    -0.14  -0.32   0.00     0.07   0.21  -0.00
    28   1    -0.35  -0.05   0.03    -0.31   0.04   0.03     0.30  -0.08  -0.03
    29   1     0.01   0.01   0.00    -0.04  -0.06   0.03     0.02   0.05  -0.03
    30   1    -0.02  -0.06   0.00    -0.00  -0.10  -0.00    -0.00   0.05   0.00
    31   1     0.01   0.01  -0.00    -0.05  -0.06  -0.03     0.02   0.04   0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1838.0684              3011.2361              3015.4759
 Red. masses --     10.3678                 1.0345                 1.0817
 Frc consts  --     20.6376                 5.5267                 5.7951
 IR Inten    --    424.6515                47.0488                 9.3205
 RamAct Fr= 1--     36.9088               237.0126                71.7205
  Dep-P Fr= 1--      0.3333                 0.0666                 0.1540
  Dep-U Fr= 1--      0.4999                 0.1249                 0.2669
 Alpha2 Fr= 1--      0.3418                 4.4995                 1.0975
 Beta2  Fr= 1--      3.0752                 4.9338                 3.1905
 AlphaG Fr= 1--     -1.3489                 0.3081                 0.3308
 Gamma2 Fr= 1--     -7.5263                 1.0656                -1.0421
 Delta2 Fr= 1--     -0.3074                -0.7006                -0.0915
 Raman1 Fr= 1--     147.635                948.050                286.882
 ROA1   Fr= 1--    -732.365                 79.875               -102.968
 CID1   Fr= 1--      -4.961                  0.084                 -0.359
 Raman2 Fr= 1--      36.902                 59.206                 38.286
 ROA2   Fr= 1--    -178.173                 31.178                -24.278
 CID2   Fr= 1--      -4.828                  0.527                 -0.634
 Raman3 Fr= 1--      73.805                118.411                 76.572
 ROA3   Fr= 1--    -732.365                 79.875               -102.968
 CID3   Fr= 1--      -9.923                  0.675                 -1.345
 RC180  Fr= 1--      -0.000                 -0.750                 -0.466
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.02   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   1    -0.01   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.02   0.00
     9   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.04   0.02  -0.01    -0.00  -0.00  -0.00    -0.01  -0.08  -0.00
    12   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
    13   6     0.68  -0.29   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   1    -0.03   0.00  -0.06     0.00   0.01   0.00     0.10   0.99   0.02
    15   1     0.03  -0.03   0.05     0.00   0.00   0.00    -0.02  -0.00  -0.00
    16   1    -0.08   0.04   0.08    -0.00   0.00  -0.00     0.02  -0.01   0.02
    17   1     0.02  -0.02   0.04    -0.00  -0.00  -0.00    -0.01  -0.08  -0.00
    18   8    -0.43   0.18   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    19   8    -0.04   0.02  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1    -0.06  -0.01   0.45    -0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6    -0.01   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    24   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00   0.00     0.01  -0.05  -0.00    -0.00   0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.01  -0.02   0.00     0.00   0.00  -0.00
    29   1    -0.00   0.00  -0.00    -0.15   0.31   0.58     0.00  -0.00  -0.01
    30   1    -0.00  -0.00   0.00     0.29  -0.03  -0.03    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.24   0.33  -0.53     0.00  -0.00   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3053.2206              3067.8399              3117.2994
 Red. masses --      1.0350                 1.1058                 1.1025
 Frc consts  --      5.6846                 6.1318                 6.3125
 IR Inten    --     16.5389                32.8522                15.5769
 RamAct Fr= 1--    201.3914                62.8062                36.6563
  Dep-P Fr= 1--      0.0302                 0.7499                 0.7446
  Dep-U Fr= 1--      0.0586                 0.8571                 0.8536
 Alpha2 Fr= 1--      4.1691                 0.0001                 0.0034
 Beta2  Fr= 1--      1.9685                 8.9719                 5.2150
 AlphaG Fr= 1--     -0.2390                 0.0677                 0.0068
 Gamma2 Fr= 1--      0.8786                 1.6749                -3.2166
 Delta2 Fr= 1--      4.2163                 1.4695                 1.3302
 Raman1 Fr= 1--     805.566                251.225                146.625
 ROA1   Fr= 1--     219.270                207.811               -266.227
 CID1   Fr= 1--       0.272                  0.827                 -1.816
 Raman2 Fr= 1--      23.622                107.663                 62.580
 ROA2   Fr= 1--     -12.644                 28.441                -87.840
 CID2   Fr= 1--      -0.535                  0.264                 -1.404
 Raman3 Fr= 1--      47.245                215.326                125.161
 ROA3   Fr= 1--     219.270                207.811               -266.227
 CID3   Fr= 1--       4.641                  0.965                 -2.127
 RC180  Fr= 1--      -0.883                  0.714                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     8   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
     9   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.03  -0.03  -0.00
    10   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.01   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
    12   6     0.01  -0.02  -0.05     0.00  -0.00  -0.00     0.02  -0.08   0.04
    13   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.00   0.02  -0.00     0.00   0.00   0.00     0.01   0.08   0.00
    15   1    -0.46  -0.12   0.01    -0.00  -0.00   0.00     0.01  -0.02   0.01
    16   1     0.31  -0.27   0.50     0.00  -0.00   0.00    -0.32   0.26  -0.52
    17   1     0.05   0.59   0.03     0.00   0.00   0.00     0.06   0.73   0.06
    18   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    23   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    25   6     0.00  -0.00   0.00    -0.01   0.00  -0.09    -0.00   0.00   0.00
    26   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    27   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    28   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   1    -0.00   0.00   0.00    -0.17   0.34   0.59     0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.02     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.27  -0.36   0.54    -0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3132.0637              3140.1022              3153.6382
 Red. masses --      1.1020                 1.0993                 1.0896
 Frc consts  --      6.3692                 6.3865                 6.3847
 IR Inten    --     16.6919                23.1130                10.5902
 RamAct Fr= 1--    209.5260               187.2679                62.8927
  Dep-P Fr= 1--      0.4809                 0.4175                 0.2977
  Dep-U Fr= 1--      0.6495                 0.5891                 0.4588
 Alpha2 Fr= 1--      1.1281                 1.3014                 0.6494
 Beta2  Fr= 1--     22.6800                18.3862                 4.8097
 AlphaG Fr= 1--      0.1386                -0.1297                 0.1062
 Gamma2 Fr= 1--     -1.1091                -0.6948                 1.0458
 Delta2 Fr= 1--     -6.7463                -0.5520                -0.8191
 Raman1 Fr= 1--     838.104                749.071                251.571
 ROA1   Fr= 1--    -322.355                -84.364                 74.191
 CID1   Fr= 1--      -0.385                 -0.113                  0.295
 Raman2 Fr= 1--     272.160                220.634                 57.717
 ROA2   Fr= 1--      27.351                -12.259                 31.653
 CID2   Fr= 1--       0.100                 -0.056                  0.548
 Raman3 Fr= 1--     544.320                441.268                115.433
 ROA3   Fr= 1--    -322.355                -84.364                 74.191
 CID3   Fr= 1--      -0.592                 -0.191                  0.643
 RC180  Fr= 1--       0.299                  0.178                 -0.082
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.08   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
     8   1    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.30   0.95  -0.01
     9   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.01  -0.00    -0.00  -0.00   0.00     0.01   0.04  -0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.08  -0.03  -0.02     0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1     0.00   0.03   0.00    -0.00  -0.00  -0.00     0.01   0.02   0.00
    15   1     0.85   0.21  -0.03    -0.00  -0.00   0.00     0.01   0.00  -0.00
    16   1     0.16  -0.16   0.27    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.01   0.31   0.01    -0.00  -0.00  -0.00     0.00   0.01   0.00
    18   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   6    -0.00   0.00   0.00    -0.09   0.02   0.01     0.00  -0.00  -0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.08   0.00
    27   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
    28   1     0.00   0.00  -0.00     0.01   0.03  -0.00    -0.00   0.00   0.00
    29   1     0.00  -0.00  -0.00     0.03  -0.08  -0.17    -0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00     0.95  -0.10  -0.08    -0.00   0.00   0.00
    31   1     0.00  -0.00   0.00     0.06  -0.09   0.16    -0.00   0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3166.0386              3172.5900              3183.4623
 Red. masses --      1.0864                 1.0883                 1.0946
 Frc consts  --      6.4164                 6.4537                 6.5358
 IR Inten    --      3.8297                 7.9899                 9.7452
 RamAct Fr= 1--     56.8834                88.0757               137.7572
  Dep-P Fr= 1--      0.7286                 0.5498                 0.1747
  Dep-U Fr= 1--      0.8430                 0.7095                 0.2975
 Alpha2 Fr= 1--      0.0209                 0.3371                 1.9989
 Beta2  Fr= 1--      7.9921                10.4154                 6.8294
 AlphaG Fr= 1--      0.0349                -0.0264                -0.3510
 Gamma2 Fr= 1--      0.2748                -1.3156                 1.2594
 Delta2 Fr= 1--     -1.2960                 0.4280                 3.3697
 Raman1 Fr= 1--     227.534                352.303                551.029
 ROA1   Fr= 1--     -15.092               -112.597                228.734
 CID1   Fr= 1--      -0.066                 -0.320                  0.415
 Raman2 Fr= 1--      95.906                124.985                 81.952
 ROA2   Fr= 1--      16.963                -34.998                  3.268
 CID2   Fr= 1--       0.177                 -0.280                  0.040
 Raman3 Fr= 1--     191.811                249.970                163.905
 ROA3   Fr= 1--     -15.092               -112.597                228.734
 CID3   Fr= 1--      -0.079                 -0.450                  1.396
 RC180  Fr= 1--       0.686                  0.419                 -0.405
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.03   0.04   0.00     0.00  -0.00  -0.00     0.05  -0.05  -0.00
     6   6    -0.02  -0.06   0.00    -0.00   0.00   0.00    -0.02  -0.05   0.00
     7   6    -0.00  -0.00   0.00    -0.02  -0.08   0.00    -0.00   0.00   0.00
     8   1    -0.01  -0.03   0.00     0.03   0.08  -0.00    -0.01  -0.03   0.00
     9   1     0.41  -0.45  -0.04    -0.01   0.02   0.00    -0.53   0.58   0.05
    10   1     0.23   0.75  -0.01    -0.00  -0.01   0.00     0.18   0.58  -0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.01  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00   0.00
    16   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    17   1    -0.00  -0.03  -0.00     0.00   0.00   0.00     0.00   0.03   0.00
    18   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   8    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   6    -0.00   0.00   0.00    -0.02   0.02   0.00     0.00  -0.00  -0.00
    22   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1     0.01   0.02  -0.00     0.28   0.90  -0.00    -0.00  -0.00  -0.00
    27   1     0.01  -0.01  -0.00     0.21  -0.23  -0.02    -0.01   0.01   0.00
    28   1    -0.01  -0.03  -0.00     0.01   0.02  -0.00    -0.01  -0.04  -0.00
    29   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3199.8583              3206.0767              3707.8465
 Red. masses --      1.0937                 1.0893                 1.0652
 Frc consts  --      6.5981                 6.5969                 8.6286
 IR Inten    --      5.2887                 8.4050               132.4937
 RamAct Fr= 1--    211.5912                80.5603               209.5509
  Dep-P Fr= 1--      0.2319                 0.2741                 0.2375
  Dep-U Fr= 1--      0.3766                 0.4302                 0.3838
 Alpha2 Fr= 1--      2.6364                 0.8917                 2.5714
 Beta2  Fr= 1--     13.2792                 5.7765                13.4056
 AlphaG Fr= 1--     -0.1901                 0.0402                -5.0674
 Gamma2 Fr= 1--     -1.7349                 0.2232               -50.5092
 Delta2 Fr= 1--     -0.7116                -0.0926                -3.7865
 Raman1 Fr= 1--     846.365                322.241                838.203
 ROA1   Fr= 1--    -189.322                 18.469              -4970.047
 CID1   Fr= 1--      -0.224                  0.057                 -5.929
 Raman2 Fr= 1--     159.350                 69.318                160.867
 ROA2   Fr= 1--     -35.944                  6.098              -1181.928
 CID2   Fr= 1--      -0.226                  0.088                 -7.347
 Raman3 Fr= 1--     318.700                138.637                321.734
 ROA3   Fr= 1--    -189.322                 18.469              -4970.047
 CID3   Fr= 1--      -0.594                  0.133                -15.448
 RC180  Fr= 1--      -0.247                 -0.140                 -0.232
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.01  -0.03   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   1     0.00   0.01  -0.00    -0.00  -0.01   0.00     0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    10   1    -0.00  -0.00   0.00     0.01   0.05  -0.00     0.00   0.00   0.00
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.06   0.02  -0.01
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.94  -0.32   0.12
    21   6     0.06  -0.06  -0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   6    -0.00   0.00   0.00    -0.02  -0.08   0.00     0.00  -0.00  -0.00
    24   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    26   1     0.09   0.29  -0.00    -0.01  -0.02   0.00    -0.00  -0.00  -0.00
    27   1    -0.65   0.68   0.07    -0.01   0.01   0.00     0.00  -0.00  -0.00
    28   1    -0.00  -0.01  -0.00     0.29   0.95  -0.00     0.00   0.00  -0.00
    29   1     0.00   0.00   0.00    -0.01   0.01   0.02    -0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.02   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1299.412138870.282849172.11716
           X            0.99989   0.00987  -0.01143
           Y           -0.00975   0.99990   0.01032
           Z            0.01153  -0.01020   0.99988
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06666     0.00976     0.00944
 Rotational constants (GHZ):           1.38889     0.20346     0.19676
 Zero-point vibrational energy     658088.0 (Joules/Mol)
                                  157.28681 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     41.14    58.99    65.48   138.36   183.39
          (Kelvin)            200.12   270.18   301.59   306.82   316.68
                              347.02   409.61   433.12   550.71   576.29
                              594.82   653.13   702.38   716.93   753.01
                              767.25   778.67   835.77   867.34   923.41
                              981.87   999.95  1077.16  1124.44  1138.66
                             1171.81  1191.25  1200.75  1248.85  1271.29
                             1316.63  1365.58  1386.24  1402.42  1413.32
                             1456.96  1527.82  1566.87  1588.32  1656.51
                             1689.18  1691.96  1703.22  1715.46  1733.82
                             1762.07  1824.73  1846.27  1869.82  1871.47
                             1885.16  1928.83  1988.79  2027.59  2039.15
                             2051.36  2096.52  2124.41  2146.88  2148.59
                             2155.01  2167.20  2194.88  2224.79  2326.61
                             2379.07  2407.01  2644.57  4332.50  4338.60
                             4392.90  4413.94  4485.10  4506.34  4517.91
                             4537.38  4555.22  4564.65  4580.29  4603.88
                             4612.83  5334.76
 
 Zero-point correction=                           0.250652 (Hartree/Particle)
 Thermal correction to Energy=                    0.265855
 Thermal correction to Enthalpy=                  0.266799
 Thermal correction to Gibbs Free Energy=         0.207181
 Sum of electronic and zero-point Energies=           -767.722802
 Sum of electronic and thermal Energies=              -767.707600
 Sum of electronic and thermal Enthalpies=            -767.706655
 Sum of electronic and thermal Free Energies=         -767.766273
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.827             58.664            125.477
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.025
 Vibrational            165.049             52.702             50.250
 Vibration     1          0.593              1.984              5.925
 Vibration     2          0.594              1.981              5.210
 Vibration     3          0.595              1.979              5.004
 Vibration     4          0.603              1.952              3.531
 Vibration     5          0.611              1.926              2.984
 Vibration     6          0.615              1.914              2.816
 Vibration     7          0.632              1.857              2.250
 Vibration     8          0.642              1.826              2.047
 Vibration     9          0.644              1.821              2.016
 Vibration    10          0.647              1.810              1.958
 Vibration    11          0.658              1.777              1.794
 Vibration    12          0.683              1.702              1.505
 Vibration    13          0.693              1.672              1.411
 Vibration    14          0.752              1.507              1.028
 Vibration    15          0.766              1.469              0.961
 Vibration    16          0.777              1.441              0.915
 Vibration    17          0.812              1.352              0.784
 Vibration    18          0.844              1.276              0.688
 Vibration    19          0.854              1.254              0.662
 Vibration    20          0.878              1.198              0.602
 Vibration    21          0.888              1.176              0.580
 Vibration    22          0.896              1.159              0.563
 Vibration    23          0.938              1.073              0.484
 Vibration    24          0.961              1.026              0.445
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.504987D-95        -95.296720       -219.428806
 Total V=0       0.989286D+20         19.995322         46.040930
 Vib (Bot)       0.100010-109       -109.999955       -253.284256
 Vib (Bot)    1  0.724191D+01          0.859853          1.979884
 Vib (Bot)    2  0.504641D+01          0.702983          1.618677
 Vib (Bot)    3  0.454439D+01          0.657475          1.513893
 Vib (Bot)    4  0.213572D+01          0.329544          0.758803
 Vib (Bot)    5  0.160045D+01          0.204242          0.470286
 Vib (Bot)    6  0.146229D+01          0.165033          0.380003
 Vib (Bot)    7  0.106666D+01          0.028028          0.064537
 Vib (Bot)    8  0.947684D+00         -0.023336         -0.053734
 Vib (Bot)    9  0.930160D+00         -0.031443         -0.072399
 Vib (Bot)   10  0.898644D+00         -0.046412         -0.106868
 Vib (Bot)   11  0.812528D+00         -0.090162         -0.207605
 Vib (Bot)   12  0.673654D+00         -0.171563         -0.395038
 Vib (Bot)   13  0.631378D+00         -0.199710         -0.459850
 Vib (Bot)   14  0.471456D+00         -0.326559         -0.751930
 Vib (Bot)   15  0.444813D+00         -0.351822         -0.810101
 Vib (Bot)   16  0.426848D+00         -0.369727         -0.851327
 Vib (Bot)   17  0.376552D+00         -0.424174         -0.976698
 Vib (Bot)   18  0.340180D+00         -0.468292         -1.078281
 Vib (Bot)   19  0.330333D+00         -0.481048         -1.107653
 Vib (Bot)   20  0.307459D+00         -0.512213         -1.179415
 Vib (Bot)   21  0.298990D+00         -0.524343         -1.207345
 Vib (Bot)   22  0.292414D+00         -0.534002         -1.229584
 Vib (Bot)   23  0.262091D+00         -0.581548         -1.339063
 Vib (Bot)   24  0.246975D+00         -0.607347         -1.398468
 Vib (V=0)       0.195924D+06          5.292087         12.185480
 Vib (V=0)    1  0.775915D+01          0.889814          2.048872
 Vib (V=0)    2  0.557112D+01          0.745943          1.717596
 Vib (V=0)    3  0.507181D+01          0.705163          1.623698
 Vib (V=0)    4  0.269347D+01          0.430312          0.990829
 Vib (V=0)    5  0.217674D+01          0.337806          0.777827
 Vib (V=0)    6  0.204541D+01          0.310780          0.715598
 Vib (V=0)    7  0.167804D+01          0.224802          0.517625
 Vib (V=0)    8  0.157150D+01          0.196314          0.452029
 Vib (V=0)    9  0.155603D+01          0.192018          0.442137
 Vib (V=0)   10  0.152838D+01          0.184231          0.424207
 Vib (V=0)   11  0.145404D+01          0.162578          0.374349
 Vib (V=0)   12  0.133893D+01          0.126759          0.291874
 Vib (V=0)   13  0.130538D+01          0.115737          0.266495
 Vib (V=0)   14  0.118722D+01          0.074531          0.171614
 Vib (V=0)   15  0.116922D+01          0.067897          0.156339
 Vib (V=0)   16  0.115742D+01          0.063491          0.146192
 Vib (V=0)   17  0.112593D+01          0.051512          0.118612
 Vib (V=0)   18  0.110475D+01          0.043264          0.099619
 Vib (V=0)   19  0.109927D+01          0.041103          0.094643
 Vib (V=0)   20  0.108697D+01          0.036217          0.083392
 Vib (V=0)   21  0.108258D+01          0.034458          0.079344
 Vib (V=0)   22  0.107923D+01          0.033114          0.076247
 Vib (V=0)   23  0.106453D+01          0.027157          0.062531
 Vib (V=0)   24  0.105767D+01          0.024351          0.056069
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.368063D+07          6.565923         15.118595
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3           3333333333333                              111111111111111111111111111111111                                        
     7           2211111110000                              866655544444444333332222111111000999998888877766665555444443322222111    
     0           0087654316511                              3751420999752108410086209877508618764186321984984084329851080842118329442
     8           6033640278351                              8347666832776792101038552464149232539548584129522311338843131510308976619
 
     X           XXXXXXXXXXXXX                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXX
     X                    X  X                              XXX XXX     X   XXXXXXXX  X    X      X           X                      
     X                                                      XXX         X   XXXX XX        X                  X                      
     X                                                      X X             XXX  X                                                   
     X                                                      X X             XXX                                                      
     X                                                      X X             XX                                                       
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000337   -0.000000230    0.000000335
      2        6           0.000000126   -0.000000829   -0.000000408
      3        6          -0.000000338   -0.000002850   -0.000001340
      4        6          -0.000000405    0.000006186   -0.000001624
      5        6          -0.000000071   -0.000002378    0.000000403
      6        6           0.000000532   -0.000000032    0.000000343
      7        6          -0.000000966   -0.000000368   -0.000000839
      8        1          -0.000000105    0.000000407    0.000000498
      9        1           0.000000512    0.000000551   -0.000000024
     10        1           0.000000641    0.000001043    0.000000213
     11        6          -0.000002964   -0.000002527    0.000008114
     12        6          -0.000003050   -0.000001811   -0.000002639
     13        6           0.000006032    0.000002259   -0.000013425
     14        1           0.000001803    0.000000799    0.000000386
     15        1           0.000000234    0.000000900   -0.000000225
     16        1           0.000000817    0.000000267    0.000000771
     17        1           0.000001580   -0.000000032    0.000001236
     18        8          -0.000005136    0.000001087    0.000002887
     19        8          -0.000002103   -0.000000020    0.000009654
     20        1           0.000000498   -0.000000705   -0.000001911
     21        6           0.000000649   -0.000000930   -0.000000294
     22        6          -0.000000400    0.000000203    0.000000251
     23        6           0.000001767    0.000001201   -0.000000243
     24        8           0.000000428    0.000001491   -0.000000973
     25        6          -0.000001154   -0.000004218    0.000000231
     26        1          -0.000000035   -0.000000636    0.000000030
     27        1           0.000000034   -0.000000484   -0.000000252
     28        1           0.000001276    0.000000577   -0.000000102
     29        1          -0.000000129    0.000000253   -0.000000163
     30        1          -0.000000263    0.000000199   -0.000000333
     31        1          -0.000000145    0.000000627   -0.000000556
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013425 RMS     0.000002467
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.315809D+03 -0.953025D+01 -0.137085D+02
      2  -0.953025D+01  0.177030D+03  0.220183D+01
      3  -0.137085D+02  0.220183D+01  0.123480D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.347883D+01 -0.257509D+02  0.310277D+01
      2   0.495244D+02  0.583448D+00  0.324385D+02
      3   0.873780D+02  0.726817D+02 -0.308206D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.294905D+03 -0.927964D+02  0.448346D+02
      2   0.910164D+02  0.724512D+02  0.519808D+01
      3   0.203889D+03  0.203452D+02 -0.500327D+02
      4  -0.881907D+02 -0.181907D+03 -0.100648D+01
      5  -0.332473D+02 -0.266612D+01  0.779182D+02
      6  -0.347476D+01 -0.467651D+02 -0.135509D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.353959D+02 -0.177205D+01 -0.202747D+01  0.469098D+02 -0.756453D+01
      2  -0.177205D+01 -0.208314D+00  0.293336D+00 -0.756453D+01  0.852334D+01
      3  -0.202747D+01  0.293336D+00 -0.136295D+00 -0.359251D+01  0.756353D+00
                 6             7             8             9            10 
      1  -0.359251D+01 -0.133127D+01 -0.765072D-01  0.125721D+01 -0.389288D+02
      2   0.756353D+00 -0.765072D-01  0.123521D+00  0.134016D+01  0.316230D+01
      3  -0.487052D+00  0.125721D+01  0.134016D+01 -0.359787D-01  0.231884D+01
                11            12            13            14            15 
      1   0.316230D+01  0.231884D+01 -0.466836D+02  0.669604D+01  0.366109D+01
      2  -0.400902D+01 -0.249219D+00  0.669604D+01 -0.694208D+01 -0.788597D+00
      3  -0.249219D+00  0.287784D+00  0.366109D+01 -0.788597D+00  0.528806D+00
                16            17            18            19            20 
      1   0.223592D+01 -0.204232D+00 -0.111658D+01 -0.481394D+02  0.500005D+01
      2  -0.204232D+00  0.282404D+00 -0.118671D+01  0.500005D+01 -0.434387D+01
      3  -0.111658D+01 -0.118671D+01 -0.741644D-01  0.215106D+01 -0.238121D+00
                21            22            23            24            25 
      1   0.215106D+01  0.231053D+02 -0.243241D+01 -0.319659D+00  0.505873D+01
      2  -0.238121D+00 -0.243241D+01  0.316669D+01  0.269922D+00  0.115890D+00
      3  -0.594594D+00 -0.319659D+00  0.269922D+00  0.267426D+01  0.180097D+01
                26            27            28            29            30 
      1   0.115890D+00  0.180097D+01  0.564501D+02 -0.320880D+01 -0.158868D+01
      2   0.226004D+00  0.373640D+01 -0.320880D+01  0.417945D+01  0.221108D+00
      3   0.373640D+01 -0.772519D-01 -0.158868D+01  0.221108D+00  0.262857D+01
                31            32            33            34            35 
      1  -0.589628D+01  0.127376D+01  0.159066D+00 -0.152687D+01  0.264261D+00
      2   0.127376D+01 -0.728135D+01 -0.601108D+00  0.264261D+00 -0.988579D+00
      3   0.159066D+00 -0.601108D+00 -0.720470D+00  0.676700D+01 -0.568761D+00
                36            37            38            39            40 
      1   0.676700D+01  0.676143D+01 -0.916747D+00 -0.318324D+00 -0.124162D+02
      2  -0.568761D+00 -0.916747D+00  0.938426D+01  0.406237D+00  0.124425D+01
      3  -0.928801D+00 -0.318324D+00  0.406237D+00  0.226312D+01  0.121253D+00
                41            42            43            44            45 
      1   0.124425D+01  0.121253D+00 -0.123685D+01 -0.166839D+00  0.423992D+01
      2   0.316562D+01  0.134939D+00 -0.166839D+00 -0.720330D+00 -0.254746D+01
      3   0.134939D+00 -0.120629D+01  0.423992D+01 -0.254746D+01 -0.132336D+01
                46            47            48            49            50 
      1  -0.914497D+01  0.161845D+01  0.105174D+01 -0.281899D+01  0.203326D+01
      2   0.161845D+01 -0.608794D+01 -0.100261D+01  0.203326D+01 -0.484183D+00
      3   0.105174D+01 -0.100261D+01 -0.189209D+01  0.168570D+00 -0.621353D-01
                51            52            53            54            55 
      1   0.168570D+00  0.564952D+00 -0.513642D+00 -0.908518D+00  0.128209D+02
      2  -0.621353D-01 -0.513642D+00  0.704297D+00 -0.409554D+01 -0.478488D+01
      3  -0.172408D+01 -0.908518D+00 -0.409554D+01 -0.140170D+00 -0.100880D+01
                56            57            58            59            60 
      1  -0.478488D+01 -0.100880D+01  0.894344D+00 -0.168031D+01  0.123190D+00
      2   0.105344D+02  0.781518D+00 -0.168031D+01  0.167460D+00 -0.167281D-01
      3   0.781518D+00  0.223818D+01  0.123190D+00 -0.167281D-01  0.193002D+01
                61            62            63            64            65 
      1  -0.113592D+01  0.706335D+00  0.737904D+00  0.103808D+01  0.223369D+01
      2   0.706335D+00 -0.114499D+01  0.417758D+01  0.223369D+01  0.162428D+01
      3   0.737904D+00  0.417758D+01 -0.278348D+00 -0.931228D-01 -0.167749D+00
                66            67            68            69            70 
      1  -0.931228D-01  0.243266D+01  0.320050D+01 -0.158400D+00 -0.314778D+00
      2  -0.167749D+00  0.320050D+01  0.775524D+01 -0.266629D+00 -0.143044D+00
      3   0.139700D+00 -0.158400D+00 -0.266629D+00  0.689021D+00 -0.159286D+00
                71            72            73            74            75 
      1  -0.143044D+00 -0.159286D+00  0.613627D+01 -0.308313D+01 -0.649375D+00
      2  -0.527589D-01  0.148421D+00 -0.308313D+01  0.269955D+01  0.278473D+00
      3   0.148421D+00 -0.509781D-01 -0.649375D+00  0.278473D+00  0.468721D+00
                76            77            78            79            80 
      1  -0.412675D+01  0.426288D+01  0.466128D+00 -0.820884D+00  0.266024D+00
      2   0.426288D+01 -0.505496D+01 -0.464875D+00  0.266024D+00 -0.240933D+00
      3   0.466128D+00 -0.464875D+00 -0.644999D+00 -0.346982D+00 -0.238620D+00
                81            82            83            84            85 
      1  -0.346982D+00 -0.837424D+00 -0.154483D+01  0.244522D-01 -0.713015D+00
      2  -0.238620D+00 -0.154483D+01 -0.220433D+01  0.567455D-01 -0.142946D+01
      3   0.122106D-01  0.244522D-01  0.567455D-01 -0.118243D+00 -0.698948D-01
                86            87            88            89            90 
      1  -0.142946D+01 -0.698948D-01  0.159007D+00  0.123198D+00  0.406488D-01
      2  -0.103207D+02 -0.162533D+00  0.123198D+00 -0.147663D-01 -0.157514D+00
      3  -0.162533D+00 -0.769159D+00  0.406488D-01 -0.157514D+00 -0.248222D-02
                91            92            93            94            95 
      1  -0.216318D+02  0.218660D+01  0.170583D+00  0.269770D+01 -0.709759D+00
      2   0.218660D+01 -0.369274D+00 -0.724276D-01 -0.709759D+00 -0.510568D+01
      3   0.170583D+00 -0.724276D-01 -0.377218D+01 -0.129961D+01 -0.688772D-01
                96            97            98            99           100 
      1  -0.129961D+01 -0.117582D+01 -0.319374D+00 -0.878472D+01 -0.791091D+01
      2  -0.688772D-01 -0.319374D+00 -0.400527D+00  0.138457D+01 -0.235832D+01
      3   0.151179D+01 -0.878472D+01  0.138457D+01  0.102924D+00  0.169971D+01
               101           102           103           104           105 
      1  -0.235832D+01  0.169971D+01 -0.729427D+01  0.661891D+00  0.110075D+01
      2   0.240088D+00 -0.277180D+00  0.661891D+00  0.453416D+01  0.131667D+01
      3  -0.277180D+00  0.361848D+01  0.110075D+01  0.131667D+01 -0.302011D+01
               106           107           108           109           110 
      1  -0.579098D+01  0.582399D+00  0.608218D+01 -0.755939D+01  0.266691D+01
      2   0.582399D+00  0.476864D+00 -0.230304D+01  0.266691D+01 -0.686472D+00
      3   0.608218D+01 -0.230304D+01 -0.526890D+00 -0.502666D+00  0.440353D+00
               111           112           113           114           115 
      1  -0.502666D+00  0.231375D+01 -0.450029D+00  0.976510D+00  0.114765D+02
      2   0.440353D+00 -0.450029D+00  0.854196D+00  0.238966D+00 -0.801336D+00
      3   0.178449D+01  0.976510D+00  0.238966D+00 -0.934885D+00  0.556560D+01
               116           117           118           119           120 
      1  -0.801336D+00  0.556560D+01 -0.116011D+01  0.135078D+01  0.309074D-01
      2   0.145231D+01 -0.707151D+00  0.135078D+01  0.815110D+00 -0.828474D-01
      3  -0.707151D+00  0.788205D+00  0.309074D-01 -0.828474D-01  0.857223D+00
               121           122           123           124           125 
      1   0.325514D+01  0.208361D+01 -0.586402D-01  0.727211D+00 -0.509749D-01
      2   0.208361D+01  0.668318D+01 -0.302872D+00 -0.509749D-01 -0.741255D-01
      3  -0.586402D-01 -0.302872D+00  0.139923D+01  0.123715D+01  0.854956D+00
               126           127           128           129           130 
      1   0.123715D+01  0.165008D+02  0.130166D+01 -0.381081D+01  0.331404D+01
      2   0.854956D+00  0.130166D+01  0.110379D+01 -0.190543D+00  0.152347D+01
      3  -0.323268D+00 -0.381081D+01 -0.190543D+00  0.227491D+01 -0.980891D+00
               131           132           133           134           135 
      1   0.152347D+01 -0.980891D+00 -0.895701D+00 -0.215688D+00  0.114333D+01
      2   0.284121D+00 -0.515562D+00 -0.215688D+00  0.272559D-01  0.400916D+00
      3  -0.515562D+00  0.933682D+00  0.114333D+01  0.400916D+00 -0.490546D+00
               136           137           138           139           140 
      1  -0.306984D+00  0.536590D+00 -0.900604D+00  0.128012D+01  0.381242D-02
      2   0.536590D+00 -0.597640D+00  0.523456D+00  0.381242D-02  0.730831D+00
      3  -0.900604D+00  0.523456D+00 -0.313343D+01 -0.218977D+00 -0.160434D+01
               141           142           143           144           145 
      1  -0.218977D+00 -0.303059D+00 -0.350374D-01 -0.447075D+00  0.715616D+00
      2  -0.160434D+01 -0.350374D-01 -0.125999D+01  0.159868D+01 -0.696845D+00
      3   0.284686D+01 -0.447075D+00  0.159868D+01 -0.699686D+01 -0.127396D+00
               146           147           148           149           150 
      1  -0.696845D+00 -0.127396D+00 -0.243285D+01  0.830000D+00  0.998297D+00
      2   0.104072D+00  0.296238D-01  0.830000D+00 -0.613039D+01 -0.170275D+01
      3   0.296238D-01 -0.533219D+00  0.998297D+00 -0.170275D+01 -0.201265D+01
               151           152           153           154           155 
      1   0.128859D+00  0.208250D+00 -0.139051D+00  0.205515D+02 -0.356617D+01
      2   0.208250D+00 -0.729203D+00 -0.749882D+00 -0.356617D+01  0.198616D+01
      3  -0.139051D+00 -0.749882D+00 -0.765957D+00  0.127175D+01 -0.359684D+00
               156           157           158           159           160 
      1   0.127175D+01 -0.665219D+01  0.472945D+01 -0.697584D+00  0.135605D+01
      2  -0.359684D+00  0.472945D+01 -0.301743D+01  0.286373D+00 -0.332245D+00
      3   0.264533D+01 -0.697584D+00  0.286373D+00 -0.895853D+00  0.231975D+01
               161           162           163           164           165 
      1  -0.332245D+00  0.231975D+01  0.152106D+02 -0.146442D+01  0.456984D+01
      2  -0.458885D+00 -0.816444D+00 -0.146442D+01  0.204298D+00  0.277480D+00
      3  -0.816444D+00 -0.304441D+00  0.456984D+01  0.277480D+00  0.124014D+01
               166           167           168           169           170 
      1  -0.478816D+01  0.311246D+00 -0.910054D+00  0.617929D+00  0.720110D+00
      2   0.311246D+00  0.141957D+00  0.147633D+01  0.720110D+00  0.340806D+00
      3  -0.910054D+00  0.147633D+01 -0.577573D+00  0.730660D+00  0.372625D+00
               171           172           173           174           175 
      1   0.730660D+00 -0.117709D+02  0.963149D+00 -0.245099D+01  0.352014D+01
      2   0.372625D+00  0.963149D+00 -0.320138D+00 -0.289388D+00 -0.321716D-01
      3   0.762488D+01 -0.245099D+01 -0.289388D+00 -0.322554D+01  0.778913D+00
               176           177           178           179           180 
      1  -0.321716D-01  0.778913D+00 -0.683770D+01  0.769237D-01 -0.254667D+01
      2   0.682414D+00  0.857267D+00  0.769237D-01  0.104878D+01  0.282593D+00
      3   0.857267D+00  0.117189D+01 -0.254667D+01  0.282593D+00  0.574054D+00
               181           182           183           184           185 
      1  -0.133146D+02  0.242940D+01  0.438618D+00  0.727686D+01  0.827560D+00
      2   0.242940D+01 -0.116121D+02  0.939304D-01  0.827560D+00 -0.547057D+01
      3   0.438618D+00  0.939304D-01 -0.270597D+01 -0.299246D+00 -0.111335D+00
               186           187           188           189           190 
      1  -0.299246D+00  0.279207D+00  0.234194D+00 -0.542406D+01 -0.365047D+02
      2  -0.111335D+00  0.234194D+00  0.704548D+00  0.332791D+01  0.106373D+01
      3   0.140923D+01 -0.542406D+01  0.332791D+01  0.127929D+01  0.169523D+01
               191           192           193           194           195 
      1   0.106373D+01  0.169523D+01  0.158065D+02 -0.750739D+00 -0.831745D+00
      2  -0.781503D+01 -0.155852D+00 -0.750739D+00  0.133967D+02  0.779452D-01
      3  -0.155852D+00 -0.431782D+01 -0.831745D+00  0.779452D-01  0.395692D+00
               196           197           198           199           200 
      1   0.219504D+01  0.109194D+00 -0.730274D+01  0.428495D+02 -0.417171D+01
      2   0.109194D+00  0.954879D+00  0.491484D+00 -0.417171D+01  0.810738D+01
      3  -0.730274D+01  0.491484D+00  0.140761D+01 -0.286252D+01 -0.667042D-02
               201           202           203           204           205 
      1  -0.286252D+01 -0.187504D+02 -0.793609D+00  0.109347D+01 -0.413556D+01
      2  -0.667042D-02 -0.793609D+00 -0.555284D+01  0.124196D+00  0.779826D-02
      3   0.505070D+00  0.109347D+01  0.124196D+00 -0.301505D+01  0.117908D+00
               206           207           208           209           210 
      1   0.779826D-02  0.117908D+00  0.429436D+01  0.125346D+01 -0.315633D+00
      2  -0.661659D+00 -0.372528D+01  0.125346D+01  0.306040D+01  0.814769D-01
      3  -0.372528D+01 -0.239148D+00 -0.315633D+00  0.814769D-01  0.990362D+00
               211           212           213           214           215 
      1   0.247755D+00 -0.228398D+01 -0.256517D+00 -0.384898D+00 -0.117811D+00
      2  -0.228398D+01  0.167424D+01  0.254164D+00 -0.117811D+00 -0.243139D+00
      3  -0.256517D+00  0.254164D+00 -0.123692D+01 -0.211516D+00  0.404947D+00
               216           217           218           219           220 
      1  -0.211516D+00  0.186073D+01 -0.193541D+01 -0.339521D+00 -0.225839D+01
      2   0.404947D+00 -0.193541D+01 -0.336852D+01  0.508232D+00  0.778840D+00
      3  -0.282512D-01 -0.339521D+00  0.508232D+00 -0.242580D+01  0.752243D+00
               221           222           223           224           225 
      1   0.778840D+00  0.752243D+00  0.369819D-01  0.565326D+00  0.135146D+01
      2  -0.122462D+01 -0.324271D+00  0.565326D+00  0.681020D-01  0.455775D+01
      3  -0.324271D+00  0.605498D+01  0.135146D+01  0.455775D+01  0.392519D+00
               226           227           228           229           230 
      1   0.548756D+00  0.129655D+01 -0.280418D-01  0.218003D+00  0.752746D+00
      2   0.129655D+01  0.247175D+01 -0.587363D-01  0.752746D+00  0.108921D+02
      3  -0.280418D-01 -0.587363D-01  0.131857D+00  0.661292D-01  0.918353D-01
               231           232           233           234           235 
      1   0.661292D-01 -0.361102D-01 -0.706643D-01 -0.195999D+00 -0.741020D+01
      2   0.918353D-01 -0.706643D-01  0.404511D-01  0.225932D+00  0.479219D+01
      3   0.780354D+00 -0.195999D+00  0.225932D+00  0.546638D-01  0.682550D+00
               236           237           238           239           240 
      1   0.479219D+01  0.682550D+00  0.544522D+01 -0.531176D+01 -0.491413D+00
      2  -0.406888D+01 -0.432725D+00 -0.531176D+01  0.608699D+01  0.525412D+00
      3  -0.432725D+00 -0.621597D+00 -0.491413D+00  0.525412D+00  0.719789D+00
               241           242           243           244           245 
      1   0.858034D+00 -0.517869D+00  0.320752D+00 -0.162227D+01 -0.211059D+01
      2  -0.517869D+00  0.473791D+00  0.251292D+00 -0.211059D+01 -0.119000D+01
      3   0.320752D+00  0.251292D+00  0.194393D-01  0.706758D-01  0.143547D+00
               246           247           248           249           250 
      1   0.706758D-01 -0.329409D+01 -0.324084D+01  0.124467D+00  0.207785D-01
      2   0.143547D+00 -0.324084D+01 -0.668800D+01  0.861439D-01  0.112865D+00
      3  -0.665487D-01  0.124467D+00  0.861439D-01 -0.480501D+00  0.117082D-01
               251           252           253           254           255 
      1   0.112865D+00  0.117082D-01  0.424346D+00  0.470965D+00 -0.614738D+00
      2  -0.649458D-01  0.913405D-01  0.470965D+00  0.464106D+00  0.579525D-01
      3   0.913405D-01 -0.196264D-01 -0.614738D+00  0.579525D-01  0.981311D+00
               256           257           258           259           260 
      1  -0.989090D+00 -0.182889D+01 -0.124588D+01 -0.401012D+01 -0.236947D+01
      2  -0.182889D+01 -0.267835D+01 -0.200884D+01 -0.236947D+01 -0.257334D+01
      3  -0.124588D+01 -0.200884D+01 -0.244994D+01 -0.246506D+01 -0.290510D+01
               261           262           263           264           265 
      1  -0.246506D+01 -0.165128D+02 -0.145652D+01  0.111134D+01  0.115862D+01
      2  -0.290510D+01 -0.145652D+01 -0.103456D+01  0.815647D-01 -0.112428D+01
      3  -0.499018D+01  0.111134D+01  0.815647D-01 -0.114576D+01 -0.959660D-01
               266           267           268           269           270 
      1  -0.112428D+01 -0.959660D-01  0.118897D+01  0.880660D-01 -0.159220D+01
      2   0.194389D+00  0.113974D+00  0.880660D-01  0.113834D+00 -0.482650D+00
      3   0.113974D+00 -0.779140D-01 -0.159220D+01 -0.482650D+00  0.318728D+00
               271           272           273           274           275 
      1   0.119644D+01  0.743949D+00  0.351406D+00 -0.761796D+00 -0.158055D+01
      2   0.743949D+00  0.937013D+00 -0.691285D+00 -0.158055D+01 -0.298253D+01
      3   0.351406D+00 -0.691285D+00  0.163384D+01  0.936903D+00  0.239096D+01
               276           277           278           279 
      1   0.936903D+00  0.303231D+01  0.175390D+01 -0.208367D+01
      2   0.239096D+01  0.175390D+01  0.259033D+01 -0.316341D+01
      3  -0.279219D+01 -0.208367D+01 -0.316341D+01  0.502218D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.211897D+01  0.317416D+01 -0.445183D+00  0.530564D+01 -0.322769D+01
      2   0.899281D+01 -0.829608D-01 -0.322118D+00  0.107719D+02 -0.119277D+01
      3   0.357317D+02  0.295346D+02 -0.178348D+01  0.539662D+02 -0.185948D+02
                 6             7             8             9            10 
      1  -0.518914D+00 -0.450397D+01  0.627377D+01  0.238519D+00 -0.117632D+01
      2   0.150551D+01 -0.201358D+02  0.305910D+01  0.171498D+01 -0.139656D+02
      3  -0.383192D+01 -0.807756D-01 -0.356939D+01  0.217297D+01 -0.251268D+02
                11            12            13            14            15 
      1   0.420153D+01  0.646125D+00  0.303961D+01 -0.762434D+00  0.794582D+00
      2   0.883336D+00 -0.573796D+01 -0.114110D+02  0.121108D+01 -0.300445D+00
      3   0.338507D+02  0.191120D+01  0.453754D+02 -0.223644D+02 -0.394522D+01
                16            17            18            19            20 
      1  -0.392089D+01  0.764083D+01  0.560100D+00 -0.315402D+01 -0.967092D+00
      2  -0.228541D+02  0.188907D+01  0.214202D+01 -0.163050D+02  0.254120D+01
      3   0.371086D+01 -0.388406D+01 -0.184863D+01 -0.474425D+02 -0.215792D+02
                21            22            23            24            25 
      1   0.116284D+01 -0.711951D+00 -0.127803D+01 -0.351425D+01 -0.693113D+01
      2  -0.561638D+00  0.846804D+01 -0.164216D+01  0.243733D+01 -0.165596D+02
      3   0.271754D+01  0.193322D+02 -0.338277D+01 -0.571728D+00  0.305122D+01
                26            27            28            29            30 
      1   0.295799D+00 -0.157294D+01 -0.801904D+00  0.124273D+01 -0.621064D+00
      2   0.724193D+01  0.149207D+01  0.207980D+02 -0.209293D+01  0.148613D+01
      3   0.218168D+01 -0.329615D+01  0.225383D+02  0.680725D+01 -0.921717D+00
                31            32            33            34            35 
      1   0.578346D+01  0.257665D+01  0.300364D+01 -0.237247D+01  0.145808D+02
      2  -0.704686D+00  0.927324D+00 -0.186729D+01 -0.177929D+02  0.195650D+01
      3   0.237294D+02  0.342823D+01  0.662379D+00  0.102218D+01 -0.147098D+01
                36            37            38            39            40 
      1   0.117961D+01 -0.298542D+00 -0.238585D+01  0.487031D+01 -0.123166D+01
      2   0.149772D+01 -0.173579D-01 -0.480336D+00  0.213507D+01 -0.563019D+01
      3   0.364763D+01 -0.259893D+02 -0.469938D+01  0.451253D+00 -0.736910D+01
                41            42            43            44            45 
      1  -0.228631D+01 -0.103935D+01  0.155357D+02  0.660259D+01 -0.869957D+00
      2   0.567727D+00 -0.160766D+01 -0.110640D+02 -0.668451D+01  0.130437D+01
      3  -0.974500D+01 -0.143331D+01 -0.551297D+00 -0.148426D+01 -0.475130D+01
                46            47            48            49            50 
      1   0.168766D+01 -0.553702D+00 -0.489927D+01 -0.168004D+01  0.203519D+01
      2  -0.214358D+01 -0.444976D-01  0.127283D+01 -0.659409D+00  0.540127D+00
      3   0.472509D+02 -0.265504D+02 -0.263699D+01 -0.142668D+02  0.228630D+02
                51            52            53            54            55 
      1  -0.320728D+01 -0.833744D+01 -0.225620D+01  0.250995D+01  0.198318D+01
      2  -0.754797D+00 -0.181851D+02 -0.106492D+01  0.880838D+00 -0.122899D+01
      3   0.191948D+01 -0.435527D+01  0.276179D+01  0.622188D+01  0.259718D+02
                56            57            58            59            60 
      1  -0.345436D+01 -0.669351D+01  0.117017D+00  0.212948D+01 -0.385266D+01
      2  -0.160758D+01 -0.648586D+01  0.104542D+01 -0.599296D+00 -0.419999D+01
      3  -0.143284D+02 -0.587362D+00  0.760303D-01  0.229346D+02  0.284975D+00
                61            62            63            64            65 
      1  -0.698294D+01 -0.367003D+01  0.152078D+01 -0.514628D+00  0.543758D-01
      2  -0.234201D+02 -0.670098D+01  0.212889D+01 -0.625929D-01  0.467682D+00
      3  -0.122720D+01  0.156784D+01  0.130099D+02 -0.516730D-01  0.546731D+00
                66            67            68            69            70 
      1  -0.111144D+01 -0.579104D+00 -0.162967D+01 -0.392922D+01  0.270314D+00
      2   0.356401D+00  0.659012D+00  0.570333D+00  0.151408D+01 -0.220806D+01
      3   0.115420D+00  0.472278D+01 -0.486930D+01 -0.295226D-01  0.478526D-01
                71            72            73            74            75 
      1   0.202541D+01  0.224414D+00 -0.545498D+00 -0.523995D+00  0.251952D+01
      2  -0.778551D+00 -0.315266D-01  0.200095D+01 -0.992721D+00  0.161961D+01
      3  -0.154504D+00  0.510653D+00 -0.944268D+01  0.518151D-01  0.816348D+00
                76            77            78            79            80 
      1  -0.103506D+01  0.141427D+01 -0.274969D+01 -0.207973D+01  0.153437D+01
      2  -0.134533D+01  0.115062D+01 -0.238687D+01 -0.266508D+01  0.181395D+00
      3   0.151828D+01  0.255233D+01  0.212977D-01  0.192585D+01  0.618755D-01
                81            82            83            84            85 
      1   0.626281D-01  0.796414D+00  0.940991D+00 -0.114886D+01  0.369475D+00
      2  -0.459037D-01 -0.243036D+00 -0.345315D+00  0.691441D+00 -0.248802D+00
      3   0.620690D+00  0.538979D+01  0.236649D+01 -0.288677D+00  0.521647D+01
                86            87            88            89            90 
      1   0.286680D+01 -0.441452D+01  0.101643D+01  0.199998D+01 -0.595746D-01
      2  -0.528616D+00  0.991068D+00 -0.733228D+00  0.118976D+01  0.261977D-01
      3   0.400158D+01  0.100047D+00 -0.497008D+00 -0.274791D+00 -0.121769D+01
                91            92            93            94            95 
      1  -0.255913D+01  0.732693D+00  0.100842D+01  0.238497D+01  0.233762D+01
      2  -0.147659D+02  0.113505D+01 -0.907454D+01 -0.974481D+00 -0.138278D+01
      3  -0.139921D+02 -0.514381D+01  0.171894D+00  0.118236D+02  0.235114D+02
                96            97            98            99           100 
      1  -0.289449D+01  0.321427D+01  0.334716D+01 -0.111218D+01  0.447127D+01
      2   0.372015D+01 -0.406508D+02  0.504418D+01 -0.363180D+01 -0.137028D+02
      3  -0.375812D+00  0.461997D+00  0.170370D+00 -0.948970D+01  0.155378D+02
               101           102           103           104           105 
      1  -0.246557D+01  0.733095D+00  0.351353D+00 -0.111516D+02 -0.688454D+01
      2  -0.431864D+01  0.225063D+02 -0.317254D+01  0.649957D+01 -0.115859D+02
      3  -0.580660D+01 -0.808785D+00 -0.570583D+00 -0.241362D+02 -0.612875D+01
               106           107           108           109           110 
      1  -0.141387D+01 -0.948404D+00  0.730818D+01  0.759854D+01 -0.242681D+01
      2   0.172626D+02 -0.917708D+01  0.756273D+01  0.165298D+02 -0.168416D+01
      3  -0.419117D+01 -0.460058D+01  0.112978D+02  0.340574D+00  0.140624D+02
               111           112           113           114           115 
      1  -0.842941D+01 -0.136700D+02  0.283704D+01 -0.146315D+02 -0.827630D+01
      2   0.426492D+01  0.898180D+00  0.154504D+01  0.725196D+01  0.166024D+02
      3   0.196604D+01  0.194391D+02 -0.156466D+02  0.170003D+01  0.802448D+01
               116           117           118           119           120 
      1  -0.424005D+01 -0.304935D+01 -0.626638D+00 -0.692834D+00 -0.346047D+00
      2   0.688929D+00  0.120116D+01 -0.338815D+00  0.426093D+00  0.360212D+01
      3  -0.986164D-01  0.598344D+01 -0.762462D+01 -0.291290D+01  0.127045D+00
               121           122           123           124           125 
      1  -0.828403D+00 -0.377026D+01 -0.249928D+01 -0.277102D+00  0.400333D+00
      2   0.110512D+01  0.536992D+00  0.452559D+01  0.245466D+01  0.243704D+01
      3  -0.195212D+01 -0.241701D+02  0.875014D+00  0.930550D+00  0.575895D-01
               126           127           128           129           130 
      1   0.208430D+00 -0.220593D+01 -0.330423D+01 -0.917366D-01 -0.308513D+01
      2  -0.474616D+00  0.129441D+02  0.175643D+01  0.682845D+01  0.166705D+01
      3  -0.189812D+01 -0.521420D+01 -0.791349D+01  0.728338D+00 -0.557187D+01
               131           132           133           134           135 
      1  -0.503433D-01 -0.531932D-01  0.712760D+00  0.890195D+00 -0.831331D+00
      2   0.395277D+00  0.274779D+01  0.251172D+01  0.782234D+00  0.298564D+00
      3  -0.412725D+00  0.197532D+01  0.381843D+00  0.185356D+01 -0.149486D+01
               136           137           138           139           140 
      1  -0.188146D+01  0.279053D+01 -0.951202D+00  0.101460D+01 -0.202572D+01
      2  -0.684314D+01  0.347122D+01 -0.134396D+02  0.237647D+01 -0.648641D+01
      3  -0.280981D+01  0.239001D+01 -0.200069D+01  0.191228D+01 -0.236776D+01
               141           142           143           144           145 
      1   0.210367D+01 -0.595890D-01  0.481478D+01 -0.354430D+01  0.256100D+01
      2   0.109626D+02 -0.605224D+01  0.692735D+01 -0.281109D+02 -0.135403D+00
      3   0.584423D+01  0.215085D+00  0.434766D+01 -0.629950D+01  0.463901D+01
               146           147           148           149           150 
      1   0.213106D+00 -0.478797D+00 -0.288992D+00  0.142845D+02  0.438459D+00
      2  -0.117033D+01 -0.181270D+01 -0.812119D+00 -0.575254D+01 -0.626447D+01
      3   0.306366D+00 -0.585979D+00  0.117734D+01  0.270333D+02  0.630104D+01
               151           152           153           154           155 
      1  -0.507207D+00  0.237115D+01  0.121264D+01 -0.578439D+01  0.294874D+01
      2  -0.105525D+01 -0.224722D+01 -0.307231D+01 -0.833201D+01  0.116956D+01
      3  -0.177771D+01  0.253155D+01  0.312556D+01  0.134368D+02 -0.227848D+02
               156           157           158           159           160 
      1   0.408252D+01  0.931162D+01 -0.395383D+01 -0.404323D+00  0.195059D+01
      2   0.217072D+02 -0.386784D+01 -0.179301D+01 -0.962278D+01  0.559980D+01
      3   0.247709D+00 -0.197988D+02  0.191272D+02 -0.182164D+01  0.871760D-01
               161           162           163           164           165 
      1   0.288759D+01 -0.636247D+00 -0.912585D+01  0.257300D+01  0.683609D+00
      2  -0.320330D+01 -0.242424D+01 -0.130415D+02  0.479483D+01  0.191424D+01
      3  -0.706091D+00  0.305292D+01  0.118537D+02 -0.427191D+01  0.634433D+00
               166           167           168           169           170 
      1   0.741227D+01 -0.128857D+00  0.491148D+01 -0.129469D+01  0.907495D+01
      2   0.663636D+01  0.526691D+01 -0.324984D+01 -0.673036D+01  0.113174D+01
      3  -0.372808D+01  0.333640D-01 -0.785015D+01 -0.213512D+01 -0.244535D+01
               171           172           173           174           175 
      1  -0.882572D+00  0.893261D+01 -0.251083D+01  0.215182D+01 -0.751165D+01
      2   0.266731D+02  0.238516D+02 -0.406395D+01 -0.708926D+01 -0.619550D+01
      3  -0.179419D+01 -0.936826D+01  0.236904D+01 -0.115604D+01  0.729051D+01
               176           177           178           179           180 
      1   0.552268D+00 -0.272082D+01  0.254776D+01 -0.856585D+00  0.112272D+01
      2   0.367009D+01  0.278789D+01 -0.136971D+01  0.531032D+00  0.374724D+01
      3  -0.107729D+01 -0.939652D+00 -0.469817D+01  0.354734D+00 -0.197022D+01
               181           182           183           184           185 
      1  -0.238518D+00  0.180425D+01  0.712611D+01 -0.105589D+01 -0.157683D+01
      2  -0.125826D+01  0.771599D-01  0.921206D+01  0.120414D+01  0.181378D+01
      3  -0.235788D+02 -0.101046D+02  0.115845D+01 -0.401013D+01 -0.290934D+02
               186           187           188           189           190 
      1  -0.125354D+01  0.173585D+02  0.684328D+01 -0.270189D+01 -0.160312D+01
      2  -0.337410D+01  0.291570D+01 -0.127694D+02 -0.267426D+01 -0.767466D+01
      3  -0.559742D+00  0.150693D+00 -0.604167D+00 -0.199593D+01 -0.244164D+02
               191           192           193           194           195 
      1   0.447718D+01  0.103388D+01  0.515699D+01 -0.991270D+00  0.449765D+01
      2  -0.196889D+00  0.339863D+01  0.292094D+01 -0.183646D+01 -0.853324D+00
      3   0.187472D+02  0.226780D+01  0.603703D+02  0.236524D+02 -0.437317D+01
               196           197           198           199           200 
      1  -0.321373D+01  0.148061D+02  0.651226D+00  0.568775D+00 -0.311522D+01
      2   0.285650D+01 -0.154175D+01 -0.198899D+01  0.990071D+01 -0.118379D+00
      3   0.379972D+01 -0.239847D+01 -0.487138D+00  0.154879D+02 -0.230334D+02
               201           202           203           204           205 
      1  -0.251251D+00 -0.127659D+01  0.104518D+01 -0.374942D+01 -0.124203D+01
      2   0.252777D+01 -0.295954D+01 -0.338220D+00  0.689390D+01 -0.219903D+02
      3  -0.209900D+01 -0.191253D+02 -0.131249D+01  0.222760D+01 -0.296126D+01
               206           207           208           209           210 
      1   0.260506D+01  0.411864D+00  0.149224D+01 -0.410346D+01 -0.116817D+01
      2   0.130727D+02  0.187469D+01  0.435242D+00  0.574524D+00  0.894493D+01
      3   0.220210D+01 -0.627886D+01  0.205626D+02 -0.395596D+02 -0.234423D+01
               211           212           213           214           215 
      1  -0.399953D+00  0.744428D-01 -0.779335D+01  0.387025D+01 -0.424621D+00
      2   0.841886D+00 -0.597454D+00  0.933438D+01 -0.564298D+01 -0.473736D+01
      3  -0.219765D+01  0.295919D+01  0.777591D+00 -0.216649D+01  0.336043D+01
               216           217           218           219           220 
      1  -0.391354D+00 -0.201766D+01  0.697414D+00 -0.382658D+01  0.478699D+00
      2  -0.332694D+00  0.203363D+01 -0.255366D+01  0.130073D+02 -0.334069D+01
      3   0.182466D+01 -0.373932D+02 -0.147265D+02  0.620883D+01 -0.137929D+01
               221           222           223           224           225 
      1   0.129527D+01  0.108278D+02  0.123277D+02  0.125946D+02  0.175351D+01
      2   0.110857D+01 -0.354195D+02 -0.454401D+01 -0.246597D+02 -0.268734D+01
      3   0.183722D+02 -0.163479D+01  0.501859D+01 -0.686818D+00  0.326924D+02
               226           227           228           229           230 
      1   0.254377D+00  0.270211D+00 -0.132489D+01 -0.132550D+00 -0.233446D+00
      2   0.117873D-01  0.124277D+00  0.341203D+00 -0.161755D+00 -0.415572D+00
      3   0.701827D+01  0.666064D+01 -0.396851D+00  0.500140D+01  0.230874D+02
               231           232           233           234           235 
      1  -0.480416D+01  0.636046D+00  0.211723D+01 -0.139214D+00 -0.101713D+01
      2  -0.407336D+00  0.363160D+00  0.195247D+00 -0.126007D+00 -0.163949D+01
      3   0.353511D+00 -0.529786D+00 -0.243558D+00 -0.586526D+00 -0.203670D+00
               236           237           238           239           240 
      1   0.271127D+00  0.254262D+01  0.294848D+00 -0.107211D+00 -0.307299D+01
      2   0.105996D+01  0.368526D+01  0.112134D+01 -0.133637D+01 -0.392015D+01
      3  -0.676958D+01 -0.112978D+00 -0.685248D+01  0.128438D+02  0.947126D+00
               241           242           243           244           245 
      1  -0.281155D+01  0.100750D+01  0.256913D-01  0.342026D+00  0.322390D+00
      2  -0.321309D+01 -0.101504D+01 -0.130887D+00 -0.409772D+00 -0.557473D+00
      3   0.192346D+00  0.735420D+00  0.151887D+01 -0.852188D+00 -0.125124D+01
               246           247           248           249           250 
      1  -0.565510D+00  0.458800D+00  0.228888D+00 -0.315869D+01 -0.185092D+00
      2   0.266593D+00 -0.571263D+00 -0.348613D+00  0.165258D+01 -0.159389D+01
      3   0.839362D-01 -0.519755D+00 -0.160302D+02 -0.129831D+00  0.138654D+00
               251           252           253           254           255 
      1   0.153783D+01  0.381541D-01 -0.522542D+00  0.298672D+00  0.218515D+01
      2  -0.141794D+01  0.811465D-01  0.541691D+01  0.178907D+00 -0.467787D+01
      3  -0.419536D+00  0.587141D+00  0.427717D+00  0.515071D+01  0.198692D+01
               256           257           258           259           260 
      1  -0.150878D+01 -0.318295D+01 -0.556774D+01 -0.467386D+01 -0.319234D+01
      2   0.597418D+01  0.105691D+02  0.138160D+02  0.774511D+01  0.157046D+02
      3  -0.600848D+01 -0.190417D+02 -0.123551D+02 -0.772894D+01 -0.168232D+02
               261           262           263           264           265 
      1  -0.101041D+02  0.112438D+01 -0.471235D+00 -0.153200D+01 -0.260586D+00
      2   0.267380D+02 -0.260589D+01 -0.134038D+00  0.901461D+01  0.286947D+00
      3  -0.197032D+02  0.115379D+02 -0.825904D+01 -0.100547D+01 -0.537219D+01
               266           267           268           269           270 
      1   0.190820D+00 -0.888867D+00 -0.208900D+01 -0.376418D+00  0.203096D+00
      2  -0.367655D+00  0.616673D+00  0.706499D+01  0.242723D+01 -0.155324D+01
      3   0.229873D+01  0.639542D+00 -0.100135D+01  0.899450D+00 -0.198483D+01
               271           272           273           274           275 
      1   0.141827D+00 -0.379022D-01  0.313891D+01  0.630273D+00  0.138767D+01
      2  -0.505490D+01  0.288395D+01 -0.784250D+01 -0.392179D+01 -0.117546D+02
      3   0.548261D+00  0.833712D+01 -0.596544D+01 -0.432428D+01 -0.212202D+02
               276           277           278           279 
      1  -0.471350D+01 -0.303459D+01 -0.177271D+01  0.776396D+01
      2   0.150570D+02  0.517932D+01  0.163040D+02 -0.252274D+02
      3   0.144995D+02  0.474248D+01  0.167783D+02 -0.211697D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.641546D+02  0.175785D+02  0.401767D+01 -0.868250D+02 -0.692443D+00
      2   0.257383D+02 -0.102063D+02 -0.221063D+01  0.350988D+02  0.131789D+02
      3   0.384162D+02 -0.737216D+01 -0.180704D+01  0.517262D+02 -0.124864D+02
      4  -0.139391D+02  0.156534D+02  0.157702D+01  0.122710D+02 -0.226112D+02
      5   0.873103D+00 -0.960812D+00 -0.209258D+01 -0.314988D+01  0.159336D+01
      6   0.748296D+00 -0.108185D+01  0.117675D+01  0.199635D+01 -0.173669D+01
                 6             7             8             9            10 
      1   0.718096D+01  0.514616D+01 -0.113992D+01 -0.958500D+01  0.755850D+02
      2  -0.261499D+01 -0.269414D+01  0.166406D+01 -0.630961D+00 -0.206744D+02
      3  -0.456597D+01 -0.245201D+01 -0.524140D+00  0.102160D+02 -0.549107D+02
      4  -0.145735D+01  0.982666D+00 -0.137545D+01 -0.162688D+01  0.330240D+02
      5   0.450049D+01  0.106915D+01 -0.638727D+00  0.175930D+01 -0.981705D+00
      6  -0.610409D+00  0.344683D+01  0.520696D+01 -0.950191D+00 -0.304648D+01
                11            12            13            14            15 
      1   0.152287D+02 -0.728982D+01  0.914282D+02 -0.191478D+02 -0.718593D+01
      2  -0.112177D+02  0.138248D+01 -0.329429D+02  0.126078D+02  0.312467D+01
      3  -0.401102D+01  0.590734D+01 -0.584852D+02  0.654002D+01  0.406126D+01
      4   0.986503D+01 -0.133574D+01 -0.264546D+02  0.204911D+02  0.184525D+01
      5  -0.858124D+00 -0.132395D+02  0.237599D+01 -0.881196D+00 -0.255952D+01
      6   0.593313D+00 -0.254693D+00 -0.465383D+00  0.197569D+01 -0.246913D+01
                16            17            18            19            20 
      1  -0.483101D+01 -0.115414D+01 -0.633174D+01  0.436459D+02 -0.261323D+02
      2   0.340949D+00  0.703001D+00 -0.258247D+01 -0.907010D+01  0.138618D+02
      3   0.449007D+01  0.451136D+00  0.891421D+01 -0.345758D+02  0.122705D+02
      4  -0.266286D+01 -0.391456D-01  0.475584D+01  0.204432D+01 -0.240220D+02
      5   0.156403D+01  0.318565D+01  0.285035D+01  0.907271D+00  0.160266D+01
      6   0.263740D+01  0.405832D+01 -0.185605D+00 -0.127012D+01  0.499762D+01
                21            22            23            24            25 
      1  -0.798825D+01  0.120133D+02  0.193947D+02  0.366145D+01 -0.480562D+01
      2   0.351314D+01 -0.273956D+02 -0.251483D+02 -0.236063D+00  0.290985D+00
      3   0.447511D+01  0.153823D+02  0.575360D+01 -0.342539D+01  0.451464D+01
      4  -0.423834D-01  0.876274D+01 -0.110867D+01 -0.306637D+00  0.170517D+01
      5  -0.460914D+01 -0.128354D+01 -0.435583D-01  0.950273D+01  0.129904D+02
      6  -0.400006D+00  0.791188D+00 -0.202554D+01  0.693596D+01  0.383709D+01
                26            27            28            29            30 
      1   0.801796D+01 -0.117712D+02  0.161999D+02 -0.737026D+01  0.542852D+01
      2  -0.288209D+01 -0.148705D+00 -0.395207D+02  0.676920D+01 -0.708675D+00
      3  -0.513587D+01  0.119199D+02  0.233208D+02  0.601065D+00 -0.471985D+01
      4   0.181521D+01  0.694440D+01 -0.275843D+01  0.146778D+02  0.156865D+00
      5   0.884364D+01  0.221420D+01 -0.727802D+01  0.181766D+01  0.113831D+02
      6   0.131927D+02 -0.251281D+01  0.124508D+01 -0.259851D+01  0.265103D+01
                31            32            33            34            35 
      1   0.433652D+02 -0.461680D+02 -0.126685D+01  0.562467D+01 -0.220388D+01
      2  -0.292985D+02  0.404579D+02  0.174447D+01 -0.124538D+00  0.112334D+01
      3  -0.140666D+02  0.571007D+01 -0.477618D+00 -0.550014D+01  0.108055D+01
      4  -0.284661D+02 -0.163031D+02  0.220585D+00 -0.236659D+01 -0.656530D+00
      5  -0.215998D+01  0.180918D+01 -0.361947D+01  0.340489D+02 -0.340037D+01
      6   0.745699D+00  0.470209D+01 -0.466969D+01  0.449740D+01  0.331598D+01
                36            37            38            39            40 
      1   0.544082D+00 -0.226470D+02  0.573923D+02  0.486206D+01 -0.413897D+02
      2  -0.122389D+02  0.130479D+02 -0.385686D+02 -0.108127D+01  0.430275D+02
      3   0.116948D+02  0.959903D+01 -0.188237D+02 -0.378079D+01 -0.163783D+01
      4  -0.305422D+00  0.267593D+02  0.433393D+01 -0.290131D+01  0.169891D+02
      5  -0.128242D+01  0.492379D+00 -0.480957D+01  0.463548D+01  0.316834D+01
      6  -0.885592D+00 -0.366681D+01 -0.456923D+01 -0.101492D+02 -0.111112D+01
                41            42            43            44            45 
      1   0.255902D+02  0.634647D+00  0.276976D+01 -0.683301D+01 -0.127847D+02
      2  -0.241203D+02 -0.258791D+01  0.310006D+01  0.168839D+01 -0.565440D+00
      3  -0.146989D+01  0.195326D+01 -0.586983D+01  0.514462D+01  0.133501D+02
      4   0.244170D+02  0.385300D+00 -0.422545D+01  0.162774D+01 -0.691020D+01
      5  -0.118527D+01 -0.845073D+01  0.137231D+02 -0.750008D+01 -0.227625D+01
      6  -0.358092D+01  0.227505D+01 -0.179372D+02  0.916568D+01  0.493958D+01
                46            47            48            49            50 
      1   0.275856D+02 -0.447612D+02 -0.654911D+01  0.169072D+02  0.513988D+01
      2  -0.213532D+02  0.285682D+02  0.196606D+01 -0.128783D+02 -0.159934D+02
      3  -0.623237D+01  0.161930D+02  0.458305D+01 -0.402886D+01  0.108535D+02
      4  -0.319269D+02 -0.127488D+02  0.214355D+01  0.182580D+02 -0.105635D+02
      5   0.324772D+01  0.203317D+01  0.993562D+00  0.170435D+00 -0.493191D+00
      6   0.214435D+01  0.652444D+01  0.826424D+01 -0.158620D+01 -0.202667D+00
                51            52            53            54            55 
      1  -0.121286D+01 -0.427590D+01  0.292517D+01 -0.211724D+02 -0.191078D+02
      2  -0.638162D+00  0.262297D+01 -0.502543D+01  0.881892D+01  0.378226D+01
      3   0.185103D+01  0.165292D+01  0.210026D+01  0.123535D+02  0.153255D+02
      4  -0.106337D+01  0.330030D+01  0.284809D+01  0.118530D+01  0.285837D+02
      5   0.263393D+00  0.350101D+01 -0.233136D+00  0.230899D+01 -0.366375D+01
      6   0.835841D+01  0.224505D+01  0.203196D+02  0.163340D+01  0.118531D+01
                56            57            58            59            60 
      1  -0.308642D+02 -0.252765D+01  0.120231D+01  0.149203D+02  0.438705D+00
      2   0.287255D+02  0.134151D+01 -0.637869D+01 -0.204025D+02 -0.187930D+00
      3   0.213878D+01  0.118614D+01  0.517638D+01  0.548219D+01 -0.250774D+00
      4  -0.603131D+02 -0.298101D+01  0.151541D+02 -0.122622D+02  0.214613D-01
      5   0.142285D+01 -0.114834D+02  0.601053D+00 -0.783010D-01 -0.635879D+01
      6   0.297434D+01  0.125780D+02 -0.337826D+00 -0.457556D+00  0.999739D+01
                61            62            63            64            65 
      1  -0.655856D+00  0.253946D+01 -0.279340D+02 -0.126904D+01 -0.376262D+01
      2   0.960722D+00 -0.331039D+01  0.148495D+02  0.560531D+01  0.627514D+01
      3  -0.304866D+00  0.770933D+00  0.130845D+02 -0.433627D+01 -0.251252D+01
      4  -0.290648D+01  0.782953D+01 -0.118703D+02  0.878765D+01  0.120248D+02
      5  -0.199219D+01 -0.166391D+02  0.378968D+01 -0.817511D+00 -0.684326D+00
      6   0.219878D+01  0.249633D+02 -0.207531D+01 -0.126932D+01 -0.150922D+01
                66            67            68            69            70 
      1   0.157412D+00 -0.877123D+01 -0.311755D+02  0.121260D+01 -0.115555D+01
      2  -0.801577D-01  0.134199D+02  0.408970D+02 -0.897604D+00  0.759079D+00
      3  -0.772539D-01 -0.464865D+01 -0.972140D+01 -0.314992D+00  0.396473D+00
      4  -0.483338D+00  0.132509D+02  0.224793D+02 -0.551056D+00 -0.319442D+00
      5   0.143399D+01 -0.579808D+00  0.244714D+00  0.224479D+01 -0.304135D+00
      6   0.135414D+01 -0.185365D+01 -0.486263D+01  0.583573D+01  0.129297D+01
                71            72            73            74            75 
      1  -0.139460D+00 -0.302489D+01  0.673497D+01  0.154676D+01 -0.526179D-01
      2   0.225242D-01  0.343243D+01  0.140671D+01 -0.770519D+01  0.983728D-01
      3   0.116936D+00 -0.407532D+00 -0.814167D+01  0.615843D+01 -0.457549D-01
      4  -0.522713D+00  0.770434D+00 -0.219231D+02  0.180002D+02  0.172916D+01
      5   0.102681D+00 -0.348174D+00 -0.495197D+01  0.217210D+01  0.419059D+01
      6   0.263731D+01 -0.295679D+00  0.311975D+01 -0.243518D+01 -0.224011D+01
                76            77            78            79            80 
      1   0.541689D+01 -0.129845D+02 -0.151241D+01 -0.129716D+01 -0.469437D+00
      2  -0.137373D+02  0.224447D+02  0.129432D+01  0.480337D-01  0.760065D+00
      3   0.832039D+01 -0.946028D+01  0.218095D+00  0.124912D+01 -0.290628D+00
      4   0.241310D+02 -0.260073D+02 -0.218366D+01  0.200786D+01 -0.145669D+01
      5   0.288543D+01 -0.246454D+01 -0.351074D+01  0.282350D-01 -0.132340D+01
      6  -0.382198D+01  0.472735D+01  0.475180D+01  0.875261D+00  0.213048D+01
                81            82            83            84            85 
      1   0.388088D-03 -0.431397D+01 -0.792100D+01  0.372035D+00 -0.583620D+01
      2   0.964860D+00  0.671501D+01  0.115281D+02 -0.254507D+00  0.732936D+01
      3  -0.965248D+00 -0.240103D+01 -0.360714D+01 -0.117529D+00 -0.149316D+01
      4  -0.226103D+01  0.447589D+01  0.126549D+02  0.267143D+00  0.734835D+01
      5  -0.340474D+00  0.841903D+00  0.127703D+01  0.191866D+01  0.690513D+00
      6   0.499480D+00  0.658856D+00  0.364096D+00  0.139862D+01  0.809938D+00
                86            87            88            89            90 
      1  -0.478165D+02 -0.100901D+01  0.885965D+00  0.125236D+00 -0.159745D+01
      2   0.628829D+02  0.684924D+00 -0.661298D+00 -0.686566D-01  0.201939D+01
      3  -0.150664D+02  0.324090D+00 -0.224668D+00 -0.565794D-01 -0.421938D+00
      4   0.149414D+02  0.391704D+00 -0.134349D+00 -0.764808D+00  0.222176D+01
      5   0.297477D+01  0.110780D+01  0.995739D+00  0.194479D+01 -0.236416D-01
      6   0.468654D+01  0.685596D+01  0.230270D+00  0.295491D+01 -0.510329D-01
                91            92            93            94            95 
      1  -0.172238D+02  0.740025D+01 -0.122590D+02  0.107364D+02  0.964493D+01
      2   0.273840D+02 -0.840647D+01 -0.143629D+01 -0.149897D+02 -0.182071D+02
      3  -0.101602D+02  0.100623D+01  0.136952D+02  0.425324D+01  0.856212D+01
      4   0.958254D+01 -0.237881D+01 -0.993535D+00 -0.475401D+01 -0.427491D+02
      5   0.420590D+00 -0.241015D+01 -0.270331D+02 -0.152856D+02 -0.807959D+00
      6  -0.220700D+01  0.276362D+01  0.953947D+00 -0.295264D+00  0.596009D+01
                96            97            98            99           100 
      1  -0.674277D+01 -0.710404D+01 -0.296755D+00 -0.282857D+02 -0.745041D+02
      2   0.100720D+02 -0.437291D+01  0.318957D+00  0.232798D+02  0.403030D+02
      3  -0.332921D+01  0.114770D+02 -0.222018D-01  0.500595D+01  0.342011D+02
      4  -0.104197D+01 -0.246425D+01 -0.107302D+01  0.866179D+01 -0.259034D+02
      5   0.877574D+01 -0.702213D+02  0.985066D+01  0.696711D+01  0.381238D+02
      6   0.190183D+01  0.257373D+01  0.240516D+00 -0.367490D+01  0.117365D+02
               101           102           103           104           105 
      1  -0.187492D+02  0.330227D+02 -0.323937D+02  0.113416D+02 -0.603525D+01
      2   0.759642D+01 -0.298207D+01  0.238523D+02 -0.744162D+01 -0.108998D+02
      3   0.111528D+02 -0.300406D+02  0.854144D+01 -0.390001D+01  0.169351D+02
      4   0.555807D+01  0.455306D+00  0.220888D+01  0.388442D+02  0.107550D+02
      5   0.454819D+01  0.191730D+02  0.172833D+02  0.713702D+01 -0.186095D+02
      6  -0.362522D+01  0.189981D+01 -0.170773D+01 -0.185548D+02 -0.660723D+01
               106           107           108           109           110 
      1   0.151194D+01 -0.764988D+01  0.360479D+02 -0.993639D+02  0.206252D+02
      2   0.189938D+02 -0.537465D+01 -0.164008D+02  0.416497D+02 -0.315222D+01
      3  -0.205057D+02  0.130245D+02 -0.196471D+02  0.577142D+02 -0.174730D+02
      4   0.230093D+01  0.643549D+01 -0.160894D+02  0.338198D+02 -0.220713D+02
      5   0.472483D+02 -0.146130D+02 -0.197034D+02 -0.179618D+02  0.803526D+01
      6  -0.250459D+01 -0.343358D+01  0.146473D+02  0.645697D+01 -0.170686D+01
               111           112           113           114           115 
      1  -0.842852D+01  0.336812D+02 -0.134838D+02  0.343556D+01  0.380176D+02
      2   0.390708D+01 -0.831269D+01  0.951983D+01 -0.267902D+01 -0.266529D+02
      3   0.452143D+01 -0.253685D+02  0.396399D+01 -0.756537D+00 -0.113647D+02
      4   0.507204D+01 -0.398398D+01  0.218428D+02  0.889884D+00 -0.345215D+01
      5  -0.113334D+01  0.147107D+02 -0.982379D+00  0.156841D+01  0.360223D+02
      6   0.320289D+01 -0.160987D+01  0.334239D+01  0.136378D+01 -0.443633D+01
               116           117           118           119           120 
      1   0.229098D+00  0.315781D+02 -0.391733D+01  0.649723D+01  0.154773D+01
      2   0.167488D+01 -0.869315D+01  0.766749D+01 -0.136655D+01 -0.783688D+00
      3  -0.190397D+01 -0.228849D+02 -0.375016D+01 -0.513069D+01 -0.764046D+00
      4   0.456752D+01 -0.731437D+01  0.121452D+02  0.111162D+02 -0.811650D+00
      5  -0.708648D+01  0.819172D+01  0.610638D+00 -0.122424D+01  0.790540D+01
      6  -0.289228D+01 -0.356879D+01 -0.131402D+01 -0.109758D+01  0.187544D+00
               121           122           123           124           125 
      1   0.101100D+02 -0.129824D+02  0.295103D+01  0.340820D+01 -0.371958D+00
      2   0.330708D+00  0.277331D+02 -0.166733D+01 -0.197287D+01  0.181834D+01
      3  -0.104407D+02 -0.147507D+02 -0.128370D+01 -0.143533D+01 -0.144638D+01
      4   0.193864D+02  0.502185D+02 -0.227399D+01 -0.614825D-01 -0.121931D+00
      5  -0.844291D+00 -0.205451D+01  0.104233D+02  0.100508D+02  0.541983D+01
      6  -0.168201D+01 -0.658327D+01  0.456508D+01  0.169643D+01  0.588236D+01
               126           127           128           129           130 
      1   0.890381D+00  0.116770D+03  0.115400D+02 -0.212629D+02  0.217607D+02
      2  -0.332336D+00 -0.702294D+02 -0.550367D+01  0.184186D+02 -0.121481D+02
      3  -0.558045D+00 -0.465405D+02 -0.603637D+01  0.284431D+01 -0.961257D+01
      4   0.582884D+01  0.181866D+02  0.143943D+02 -0.349038D+01  0.194734D+02
      5  -0.213311D+01 -0.650161D+02 -0.533280D+01  0.294424D+02 -0.142843D+02
      6  -0.526523D+00 -0.776250D+01 -0.549640D+01  0.162161D+01 -0.681083D+01
               131           132           133           134           135 
      1   0.994723D+01 -0.268316D+01 -0.712489D+01  0.627609D+00  0.689566D+01
      2  -0.420798D+01  0.434540D+01  0.739987D+01  0.130747D+01 -0.709393D+01
      3  -0.573925D+01 -0.166224D+01 -0.274980D+00 -0.193508D+01  0.198269D+00
      4   0.360925D+01 -0.550966D+01 -0.867915D+00 -0.215550D+01  0.367564D+01
      5  -0.718120D+01  0.840478D+01  0.166079D+02  0.343878D+01 -0.759155D+01
      6  -0.819350D+00  0.355641D+01  0.156181D+01  0.164365D+01 -0.205060D+01
               136           137           138           139           140 
      1  -0.396173D+01  0.722601D+01 -0.221905D+02  0.786707D+01 -0.101140D+02
      2  -0.155862D+01 -0.154287D+01 -0.150149D+01 -0.485442D+01  0.185316D+01
      3   0.552035D+01 -0.568314D+01  0.236920D+02 -0.301266D+01  0.826087D+01
      4   0.375764D+01 -0.387953D+01  0.300353D+01  0.161369D+01  0.434732D+01
      5  -0.197168D+01  0.261329D+00 -0.113794D+02 -0.570219D+01 -0.807545D+01
      6  -0.321845D+01  0.454004D+01 -0.450216D+01 -0.101153D+00 -0.605973D+01
               141           142           143           144           145 
      1   0.126957D+02 -0.853192D+01  0.844692D+01 -0.378025D+02  0.735543D+01
      2   0.347273D+01  0.238926D+01  0.225701D+01 -0.126585D+02 -0.208588D+01
      3  -0.161684D+02  0.614265D+01 -0.107039D+02  0.504611D+02 -0.526955D+01
      4  -0.108904D+02 -0.551711D+00 -0.868003D+01  0.118611D+02 -0.481384D+01
      5   0.165316D+02  0.492614D+01  0.883245D+01 -0.371434D+02 -0.428914D+01
      6   0.120092D+02 -0.948042D-01  0.915152D+01 -0.124311D+02  0.220151D+01
               146           147           148           149           150 
      1  -0.499271D+01 -0.546118D+01 -0.112717D+02 -0.995254D+01 -0.276327D+01
      2   0.255485D+01  0.655933D+00  0.684594D+01  0.133646D+02 -0.227630D+01
      3   0.243786D+01  0.480525D+01  0.442580D+01 -0.341208D+01  0.503957D+01
      4   0.341793D+01  0.824711D+00  0.111428D+02 -0.480088D+02 -0.133288D+02
      5   0.230729D+01 -0.126509D+01  0.125934D+02 -0.122942D+02 -0.154645D+02
      6  -0.120679D+00  0.437813D-01 -0.430307D+01  0.264226D+02  0.109350D+02
               151           152           153           154           155 
      1  -0.792483D+00 -0.220260D+01 -0.680924D+01  0.197092D+03 -0.311838D+02
      2  -0.243634D+00 -0.307342D+00  0.939739D+00 -0.925217D+02  0.976940D+01
      3   0.103612D+01  0.250994D+01  0.586950D+01 -0.104571D+03  0.214144D+02
      4   0.163112D+01 -0.561322D+01 -0.535366D+01 -0.437053D+02  0.393059D+02
      5   0.774119D+00 -0.533701D+01 -0.385067D+01  0.358883D+02 -0.716290D+01
      6  -0.131548D+01  0.765298D+01  0.351112D+01 -0.538926D+01  0.466283D+01
               156           157           158           159           160 
      1   0.842620D+01 -0.424288D+02  0.354339D+02 -0.137921D+01  0.626754D+01
      2  -0.903454D+01  0.140156D+02 -0.977319D+01  0.200857D+01 -0.732144D+01
      3   0.608341D+00  0.284132D+02 -0.256607D+02 -0.629365D+00  0.105390D+01
      4  -0.352284D+01  0.549826D+02 -0.386858D+02  0.316830D+01 -0.297689D+01
      5   0.361695D+02 -0.105621D+02  0.807643D+01 -0.121049D+02  0.336552D+02
      6  -0.187231D+01  0.951682D+01 -0.666804D+01  0.543119D+01 -0.438218D+01
               161           162           163           164           165 
      1  -0.900177D+00  0.184976D+02  0.598432D+02 -0.104515D+02  0.163018D+02
      2   0.123910D+01 -0.125754D+02 -0.423782D+02  0.426241D+01 -0.116258D+02
      3  -0.338922D+00 -0.592225D+01 -0.174650D+02  0.618906D+01 -0.467604D+01
      4   0.810345D-01 -0.749778D+01 -0.111148D+02  0.879759D+01  0.144464D+01
      5  -0.855182D+01  0.416901D+01  0.395122D+02 -0.860025D+00  0.202804D+02
      6   0.466074D+01 -0.178813D+01 -0.366766D+01  0.198500D+01  0.103496D+01
               166           167           168           169           170 
      1  -0.205135D+02 -0.513405D+01  0.113111D+00 -0.948966D+01  0.121751D+01
      2   0.115102D+02  0.581930D+00  0.124055D+01  0.128512D+01 -0.145582D+01
      3   0.900332D+01  0.455212D+01 -0.135366D+01  0.820453D+01  0.238310D+00
      4   0.741097D+01  0.975686D+00  0.115620D+02  0.564931D+01  0.489263D+01
      5  -0.944533D+01  0.117418D+02 -0.331846D+01  0.144187D+02  0.438639D+01
      6   0.190198D+01  0.450136D+00  0.114416D+02  0.340717D+01  0.105762D+02
               171           172           173           174           175 
      1  -0.353363D+02 -0.527812D+02  0.816220D+01  0.703336D+01  0.159390D+02
      2  -0.136798D+02  0.338961D+02 -0.379879D+01  0.633516D+01 -0.108964D+02
      3   0.490161D+02  0.188851D+02 -0.436340D+01 -0.133685D+02 -0.504259D+01
      4   0.691979D+01  0.766804D+01 -0.511168D+01 -0.147272D+01 -0.954956D+00
      5   0.467769D+02 -0.292265D+02  0.106490D+01 -0.177890D+02  0.813344D+01
      6   0.428582D+01  0.287424D+01 -0.410728D+01 -0.219922D+01 -0.728309D+00
               176           177           178           179           180 
      1  -0.743315D+01 -0.213575D+01 -0.109182D+02  0.164331D+00 -0.115963D+02
      2   0.417831D+01 -0.147765D+01  0.141062D+02 -0.641801D+00  0.579581D+01
      3   0.325484D+01  0.361339D+01 -0.318800D+01  0.477470D+00  0.580049D+01
      4   0.285987D+01  0.392671D+01  0.258692D+01 -0.224603D+00  0.146386D+01
      5   0.241004D+01  0.597694D+01 -0.140111D+02  0.102406D+01 -0.315575D+01
      6   0.291120D+01  0.436630D+01 -0.116630D+01  0.143143D+01  0.108933D+01
               181           182           183           184           185 
      1   0.319568D+02  0.523364D+02  0.784707D+00 -0.415335D+02  0.126646D+02
      2  -0.160392D+02 -0.430674D+02 -0.914245D-01  0.334111D+02 -0.193974D+02
      3  -0.159177D+02 -0.926896D+01 -0.693282D+00  0.812241D+01  0.673276D+01
      4  -0.889211D+00  0.421258D+02 -0.332010D+01 -0.504510D+01  0.343459D+02
      5   0.615687D+01 -0.647480D+01  0.173100D+02 -0.476787D+00  0.200764D+01
      6  -0.469804D+01  0.241232D+01 -0.137894D+02  0.148601D+01 -0.176234D+01
               186           187           188           189           190 
      1   0.163208D+01  0.144702D+01 -0.708169D+01  0.488619D+01  0.107277D+03
      2  -0.207213D+01  0.120837D+01  0.375347D+01 -0.841573D+01 -0.534465D+02
      3   0.440049D+00 -0.265539D+01  0.332822D+01  0.352953D+01 -0.538300D+02
      4   0.197537D+01 -0.542021D+01 -0.442306D+00 -0.258644D+02  0.863015D+01
      5  -0.961884D+01  0.384296D+02 -0.214619D+02 -0.422068D+01  0.527308D+01
      6   0.295227D+01 -0.252463D+02  0.152047D+02  0.427020D+01 -0.157822D+01
               191           192           193           194           195 
      1  -0.500872D+00 -0.485230D+01 -0.411264D+02 -0.372197D+02  0.142659D+01
      2  -0.125246D+02  0.406017D+00  0.735301D+01  0.427355D+02  0.117480D+01
      3   0.130255D+02  0.444629D+01  0.337734D+02 -0.551583D+01 -0.260139D+01
      4   0.248591D+02 -0.163713D+00 -0.440463D+02 -0.615198D+02  0.164464D+01
      5   0.717908D+00  0.883450D+01 -0.110834D+01 -0.876650D-01 -0.166698D+01
      6   0.111893D+01 -0.262687D+01  0.274701D+01  0.868868D+00 -0.894942D+01
               196           197           198           199           200 
      1  -0.101377D+01 -0.195894D+01  0.243426D+02 -0.108980D+03 -0.209742D+02
      2   0.769820D+00  0.238467D+01 -0.218489D+02  0.374238D+02  0.221292D+02
      3   0.243950D+00 -0.425721D+00 -0.249369D+01  0.715563D+02 -0.115493D+01
      4  -0.315749D+01 -0.296692D+01  0.474848D+00 -0.342700D+02 -0.311795D+02
      5   0.534776D+02 -0.448025D+01 -0.435478D+01  0.202831D+01  0.309169D+01
      6  -0.863094D+00  0.484835D+01 -0.543758D+00  0.424362D+01  0.701687D+00
               201           202           203           204           205 
      1   0.652293D+01  0.806559D+02  0.167782D+02 -0.363324D+01  0.992624D+01
      2  -0.249540D+01 -0.482542D+02 -0.252020D+02  0.178108D+01 -0.464159D+01
      3  -0.402753D+01 -0.324017D+02  0.842382D+01  0.185215D+01 -0.528464D+01
      4   0.343967D+01  0.309076D+02  0.224786D+02 -0.191348D+01  0.544470D+01
      5   0.533025D+01 -0.760864D+00 -0.520511D+00  0.147087D+02  0.266858D+01
      6   0.249025D+00 -0.204029D+01 -0.766399D+00  0.952685D+01  0.274373D+01
               206           207           208           209           210 
      1   0.503445D+01 -0.159161D+02  0.435462D+02 -0.710261D+01 -0.102086D+01
      2  -0.390212D+01 -0.256465D+01 -0.271170D+02  0.701232D+01  0.277817D+01
      3  -0.113233D+01  0.184808D+02 -0.164293D+02  0.902973D-01 -0.175731D+01
      4   0.308074D+01  0.177155D+02 -0.155378D+02  0.566796D+01  0.586011D+00
      5   0.219915D+02  0.346461D+01 -0.590172D+01  0.728335D-01  0.179101D+02
      6   0.995443D+01 -0.235437D+00  0.984734D+00 -0.140913D+01  0.336267D+01
               211           212           213           214           215 
      1  -0.118726D+02  0.697153D+01  0.349420D+01 -0.165555D+01 -0.444654D-01
      2   0.811438D+01 -0.394048D+01 -0.159794D+01  0.227783D+01 -0.694002D+00
      3   0.375817D+01 -0.303105D+01 -0.189627D+01 -0.622282D+00  0.738467D+00
      4   0.347816D+02 -0.144852D+02 -0.190821D+01  0.124536D+01 -0.200591D+00
      5   0.275767D+01 -0.352568D+00  0.176381D+02  0.114274D+02 -0.478463D+01
      6  -0.525932D+00  0.829970D-01  0.140411D+02 -0.157603D+01  0.395988D+01
               216           217           218           219           220 
      1   0.511825D+01 -0.907387D+02 -0.505575D+00  0.129044D+02  0.123869D+02
      2  -0.244170D+01  0.517148D+02  0.379197D+01 -0.713809D+01 -0.285751D+01
      3  -0.267655D+01  0.390238D+02 -0.328639D+01 -0.576628D+01 -0.952940D+01
      4  -0.610096D+01  0.690964D+01  0.275462D+02 -0.328046D+01 -0.752009D+01
      5  -0.292890D+01  0.116164D+02 -0.349673D+01  0.198192D+02 -0.650046D+01
      6   0.616011D+00  0.259664D+00 -0.276990D+01  0.845627D+01 -0.192493D+01
               221           222           223           224           225 
      1   0.158756D+02 -0.108114D+02  0.894725D+01 -0.678214D+01  0.230891D+02
      2  -0.754548D+01  0.338410D+01 -0.530680D+01  0.229670D+01 -0.186472D+02
      3  -0.833010D+01  0.742726D+01 -0.364045D+01  0.448544D+01 -0.444189D+01
      4   0.224597D+01  0.391674D+00 -0.536399D+01 -0.232940D+01 -0.431070D+02
      5   0.626754D-01 -0.685460D+02 -0.110291D+02 -0.458153D+02 -0.767496D+01
      6   0.141774D+01 -0.283094D+02 -0.112475D+02 -0.214618D+02  0.309050D+00
               226           227           228           229           230 
      1  -0.612569D+01 -0.157153D+02  0.516112D+00 -0.461743D+01 -0.580985D+02
      2   0.783436D+01  0.173743D+02 -0.311688D+00  0.461681D+01  0.765833D+02
      3  -0.170867D+01 -0.165902D+01 -0.204424D+00  0.620386D-03 -0.184848D+02
      4   0.530682D+00  0.510857D+01  0.245140D+00  0.324382D+01 -0.225162D+02
      5   0.412474D+00  0.688722D+00  0.118595D+01  0.121423D+00  0.213425D+01
      6  -0.281576D+00 -0.916720D+00  0.178447D+01  0.160565D+00 -0.997881D+00
               231           232           233           234           235 
      1  -0.605236D+00  0.795077D+00  0.146258D+00 -0.749020D+00  0.376960D+02
      2   0.713225D+00 -0.548562D+00  0.173829D+00  0.166295D+01 -0.717223D+01
      3  -0.107989D+00 -0.246516D+00 -0.320087D+00 -0.913929D+00 -0.305238D+02
      4   0.172573D-01  0.198520D-01 -0.768929D+00  0.855131D+00 -0.546227D+02
      5  -0.181587D+01  0.241217D+01  0.441206D+00 -0.313393D+00 -0.380024D+01
      6   0.744898D+01 -0.560067D+00  0.312159D+01  0.761484D-01  0.293004D+01
               236           237           238           239           240 
      1  -0.199753D+02 -0.264200D+01 -0.180071D+02  0.928918D+01  0.874788D+00
      2  -0.152469D+01  0.699414D+00 -0.815713D+01  0.165686D+02  0.900534D+00
      3   0.215000D+02  0.194259D+01  0.261643D+02 -0.258577D+02 -0.177532D+01
      4   0.435702D+02  0.460334D+01  0.516203D+02 -0.565737D+02 -0.463002D+01
      5   0.241115D+01  0.668892D+01  0.242600D+01 -0.213221D+01 -0.611693D+01
      6  -0.219192D+01 -0.379642D+01 -0.245966D+01  0.294998D+01  0.538827D+01
               241           242           243           244           245 
      1  -0.374041D+01  0.165420D+01 -0.442696D+00  0.929697D+01  0.103160D+02
      2   0.590495D+00  0.439458D+00  0.136187D+01 -0.242334D+01 -0.340057D+01
      3   0.314991D+01 -0.209365D+01 -0.919170D+00 -0.687363D+01 -0.691541D+01
      4   0.575850D+01 -0.472234D+01 -0.321674D+01  0.159964D+02  0.134779D+02
      5  -0.737357D+00 -0.215667D+01 -0.912100D+00 -0.263244D+00 -0.431653D+00
      6   0.116795D+01  0.231326D+01  0.579532D+00 -0.157876D+00 -0.429271D+00
               246           247           248           249           250 
      1  -0.481274D+00  0.985526D+01 -0.688647D+01 -0.567489D+00 -0.471005D+00
      2   0.260745D+00  0.196808D+01  0.199272D+02  0.299259D-01  0.313725D+00
      3   0.220529D+00 -0.118233D+02 -0.130408D+02  0.537563D+00  0.157279D+00
      4  -0.912008D+00  0.249165D+02  0.406524D+02 -0.584877D+00 -0.677090D+00
      5   0.106422D+01  0.124590D+00  0.149380D+01  0.324170D+01  0.299522D+00
      6   0.227886D+00 -0.123089D-01  0.147049D+00  0.414867D+01  0.152298D+01
               251           252           253           254           255 
      1  -0.118508D+01 -0.148524D+01  0.416222D+01  0.356023D+01  0.847127D+01
      2   0.696185D+00  0.220949D+01 -0.214978D+01 -0.302800D+01 -0.400280D+01
      3   0.488897D+00 -0.724254D+00 -0.201244D+01 -0.532230D+00 -0.446847D+01
      4  -0.341122D-01 -0.150384D+00 -0.172199D+01 -0.357296D+01  0.165412D+01
      5  -0.107652D+01 -0.604995D-01  0.630248D+01  0.181458D+00 -0.733612D+01
      6   0.129186D+01  0.881355D-01  0.202103D+01 -0.643948D+00 -0.431110D+01
               256           257           258           259           260 
      1   0.665812D+01 -0.283475D+00  0.896371D-01  0.281034D+02  0.641409D+01
      2   0.164314D+00  0.820123D+01  0.520192D+01 -0.131335D+02  0.120162D+01
      3  -0.682243D+01 -0.791776D+01 -0.529156D+01 -0.149699D+02 -0.761571D+01
      4   0.224188D+02  0.291895D+02  0.208194D+02  0.286784D+02  0.281792D+02
      5   0.138053D+02  0.217237D+02  0.274084D+02  0.280612D+02  0.307932D+02
      6   0.628071D+01  0.106823D+02  0.132697D+02  0.118768D+02  0.149821D+02
               261           262           263           264           265 
      1  -0.413466D+01  0.208984D+03  0.147442D+02 -0.132502D+02 -0.118689D+02
      2   0.347498D+00 -0.108177D+03 -0.479727D+01  0.774948D+01  0.959643D+01
      3   0.378716D+01 -0.100806D+03 -0.994688D+01  0.550074D+01  0.227246D+01
      4   0.289641D+02  0.386208D+02  0.181119D+02 -0.240187D+01  0.176185D+02
      5   0.529310D+02 -0.158182D+02 -0.106406D+01  0.177847D+02  0.744843D+00
      6   0.190401D+02 -0.232144D+01 -0.795064D+00  0.288811D+01 -0.766994D+00
               266           267           268           269           270 
      1   0.151473D+02  0.113950D+01 -0.137495D+02 -0.462949D+00  0.147992D+02
      2  -0.726766D+01 -0.884765D+00  0.831462D+01  0.137863D+00 -0.836820D+01
      3  -0.787963D+01 -0.254737D+00  0.543491D+01  0.325085D+00 -0.643096D+01
      4  -0.191249D+00 -0.148111D+01 -0.259139D+01 -0.154672D+01  0.617547D+01
      5  -0.165304D+01  0.900701D+00  0.232759D+02  0.525337D+01 -0.418545D+01
      6  -0.160081D+00  0.188139D+01  0.323848D+01  0.301481D+01 -0.711690D+00
               271           272           273           274           275 
      1  -0.356339D+01  0.410171D+01 -0.123908D+02  0.482567D+01 -0.658659D+01
      2   0.120925D+01 -0.405431D+01  0.536545D+01 -0.259738D+00  0.109718D+02
      3   0.235414D+01 -0.474016D-01  0.702538D+01 -0.456594D+01 -0.438526D+01
      4  -0.592600D+01 -0.795966D+01  0.311265D+01  0.191431D+02  0.301167D+02
      5  -0.447446D+01  0.426583D+01 -0.126131D+02 -0.104490D+02 -0.221216D+02
      6  -0.961148D+00  0.386574D+01 -0.719424D+01 -0.600031D+01 -0.138873D+02
               276           277           278           279 
      1   0.709539D+01 -0.220992D+02  0.186631D+01 -0.122503D+02
      2  -0.751983D+01  0.110413D+02 -0.346651D+01  0.188432D+01
      3   0.424433D+00  0.110579D+02  0.160020D+01  0.103660D+02
      4  -0.225986D+02 -0.211113D+02 -0.256622D+02  0.291947D+02
      5   0.285637D+02  0.224280D+02  0.300600D+02 -0.466318D+02
      6   0.158576D+02  0.107494D+02  0.169424D+02 -0.208962D+02
 Leave Link  716 at Thu Aug 12 21:38:31 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.315809D+03 -0.953025D+01 -0.137085D+02
      2  -0.953025D+01  0.177030D+03  0.220183D+01
      3  -0.137085D+02  0.220183D+01  0.123480D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.347883D+01 -0.257509D+02  0.310277D+01
      2   0.495244D+02  0.583448D+00  0.324385D+02
      3   0.873780D+02  0.726817D+02 -0.308206D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.294905D+03 -0.927964D+02  0.448346D+02
      2   0.910164D+02  0.724512D+02  0.519808D+01
      3   0.203889D+03  0.203452D+02 -0.500327D+02
      4  -0.881907D+02 -0.181907D+03 -0.100648D+01
      5  -0.332473D+02 -0.266612D+01  0.779182D+02
      6  -0.347476D+01 -0.467651D+02 -0.135509D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.353959D+02 -0.177205D+01 -0.202747D+01  0.469098D+02 -0.756453D+01
      2  -0.177205D+01 -0.208314D+00  0.293336D+00 -0.756453D+01  0.852334D+01
      3  -0.202747D+01  0.293336D+00 -0.136295D+00 -0.359251D+01  0.756353D+00
                 6             7             8             9            10 
      1  -0.359251D+01 -0.133127D+01 -0.765072D-01  0.125721D+01 -0.389288D+02
      2   0.756353D+00 -0.765072D-01  0.123521D+00  0.134016D+01  0.316230D+01
      3  -0.487052D+00  0.125721D+01  0.134016D+01 -0.359787D-01  0.231884D+01
                11            12            13            14            15 
      1   0.316230D+01  0.231884D+01 -0.466836D+02  0.669604D+01  0.366109D+01
      2  -0.400902D+01 -0.249219D+00  0.669604D+01 -0.694208D+01 -0.788597D+00
      3  -0.249219D+00  0.287784D+00  0.366109D+01 -0.788597D+00  0.528806D+00
                16            17            18            19            20 
      1   0.223592D+01 -0.204232D+00 -0.111658D+01 -0.481394D+02  0.500005D+01
      2  -0.204232D+00  0.282404D+00 -0.118671D+01  0.500005D+01 -0.434387D+01
      3  -0.111658D+01 -0.118671D+01 -0.741644D-01  0.215106D+01 -0.238121D+00
                21            22            23            24            25 
      1   0.215106D+01  0.231053D+02 -0.243241D+01 -0.319659D+00  0.505873D+01
      2  -0.238121D+00 -0.243241D+01  0.316669D+01  0.269922D+00  0.115890D+00
      3  -0.594594D+00 -0.319659D+00  0.269922D+00  0.267426D+01  0.180097D+01
                26            27            28            29            30 
      1   0.115890D+00  0.180097D+01  0.564501D+02 -0.320880D+01 -0.158868D+01
      2   0.226004D+00  0.373640D+01 -0.320880D+01  0.417945D+01  0.221108D+00
      3   0.373640D+01 -0.772519D-01 -0.158868D+01  0.221108D+00  0.262857D+01
                31            32            33            34            35 
      1  -0.589628D+01  0.127376D+01  0.159066D+00 -0.152687D+01  0.264261D+00
      2   0.127376D+01 -0.728135D+01 -0.601108D+00  0.264261D+00 -0.988579D+00
      3   0.159066D+00 -0.601108D+00 -0.720470D+00  0.676700D+01 -0.568761D+00
                36            37            38            39            40 
      1   0.676700D+01  0.676143D+01 -0.916747D+00 -0.318324D+00 -0.124162D+02
      2  -0.568761D+00 -0.916747D+00  0.938426D+01  0.406237D+00  0.124425D+01
      3  -0.928801D+00 -0.318324D+00  0.406237D+00  0.226312D+01  0.121253D+00
                41            42            43            44            45 
      1   0.124425D+01  0.121253D+00 -0.123685D+01 -0.166839D+00  0.423992D+01
      2   0.316562D+01  0.134939D+00 -0.166839D+00 -0.720330D+00 -0.254746D+01
      3   0.134939D+00 -0.120629D+01  0.423992D+01 -0.254746D+01 -0.132336D+01
                46            47            48            49            50 
      1  -0.914497D+01  0.161845D+01  0.105174D+01 -0.281899D+01  0.203326D+01
      2   0.161845D+01 -0.608794D+01 -0.100261D+01  0.203326D+01 -0.484183D+00
      3   0.105174D+01 -0.100261D+01 -0.189209D+01  0.168570D+00 -0.621353D-01
                51            52            53            54            55 
      1   0.168570D+00  0.564952D+00 -0.513642D+00 -0.908518D+00  0.128209D+02
      2  -0.621353D-01 -0.513642D+00  0.704297D+00 -0.409554D+01 -0.478488D+01
      3  -0.172408D+01 -0.908518D+00 -0.409554D+01 -0.140170D+00 -0.100880D+01
                56            57            58            59            60 
      1  -0.478488D+01 -0.100880D+01  0.894344D+00 -0.168031D+01  0.123190D+00
      2   0.105344D+02  0.781518D+00 -0.168031D+01  0.167460D+00 -0.167281D-01
      3   0.781518D+00  0.223818D+01  0.123190D+00 -0.167281D-01  0.193002D+01
                61            62            63            64            65 
      1  -0.113592D+01  0.706335D+00  0.737904D+00  0.103808D+01  0.223369D+01
      2   0.706335D+00 -0.114499D+01  0.417758D+01  0.223369D+01  0.162428D+01
      3   0.737904D+00  0.417758D+01 -0.278348D+00 -0.931228D-01 -0.167749D+00
                66            67            68            69            70 
      1  -0.931228D-01  0.243266D+01  0.320050D+01 -0.158400D+00 -0.314778D+00
      2  -0.167749D+00  0.320050D+01  0.775524D+01 -0.266629D+00 -0.143044D+00
      3   0.139700D+00 -0.158400D+00 -0.266629D+00  0.689021D+00 -0.159286D+00
                71            72            73            74            75 
      1  -0.143044D+00 -0.159286D+00  0.613627D+01 -0.308313D+01 -0.649375D+00
      2  -0.527589D-01  0.148421D+00 -0.308313D+01  0.269955D+01  0.278473D+00
      3   0.148421D+00 -0.509781D-01 -0.649375D+00  0.278473D+00  0.468721D+00
                76            77            78            79            80 
      1  -0.412675D+01  0.426288D+01  0.466128D+00 -0.820884D+00  0.266024D+00
      2   0.426288D+01 -0.505496D+01 -0.464875D+00  0.266024D+00 -0.240933D+00
      3   0.466128D+00 -0.464875D+00 -0.644999D+00 -0.346982D+00 -0.238620D+00
                81            82            83            84            85 
      1  -0.346982D+00 -0.837424D+00 -0.154483D+01  0.244522D-01 -0.713015D+00
      2  -0.238620D+00 -0.154483D+01 -0.220433D+01  0.567455D-01 -0.142946D+01
      3   0.122106D-01  0.244522D-01  0.567455D-01 -0.118243D+00 -0.698948D-01
                86            87            88            89            90 
      1  -0.142946D+01 -0.698948D-01  0.159007D+00  0.123198D+00  0.406488D-01
      2  -0.103207D+02 -0.162533D+00  0.123198D+00 -0.147663D-01 -0.157514D+00
      3  -0.162533D+00 -0.769159D+00  0.406488D-01 -0.157514D+00 -0.248222D-02
                91            92            93            94            95 
      1  -0.216318D+02  0.218660D+01  0.170583D+00  0.269770D+01 -0.709759D+00
      2   0.218660D+01 -0.369274D+00 -0.724276D-01 -0.709759D+00 -0.510568D+01
      3   0.170583D+00 -0.724276D-01 -0.377218D+01 -0.129961D+01 -0.688772D-01
                96            97            98            99           100 
      1  -0.129961D+01 -0.117582D+01 -0.319374D+00 -0.878472D+01 -0.791091D+01
      2  -0.688772D-01 -0.319374D+00 -0.400527D+00  0.138457D+01 -0.235832D+01
      3   0.151179D+01 -0.878472D+01  0.138457D+01  0.102924D+00  0.169971D+01
               101           102           103           104           105 
      1  -0.235832D+01  0.169971D+01 -0.729427D+01  0.661891D+00  0.110075D+01
      2   0.240088D+00 -0.277180D+00  0.661891D+00  0.453416D+01  0.131667D+01
      3  -0.277180D+00  0.361848D+01  0.110075D+01  0.131667D+01 -0.302011D+01
               106           107           108           109           110 
      1  -0.579098D+01  0.582399D+00  0.608218D+01 -0.755939D+01  0.266691D+01
      2   0.582399D+00  0.476864D+00 -0.230304D+01  0.266691D+01 -0.686472D+00
      3   0.608218D+01 -0.230304D+01 -0.526890D+00 -0.502666D+00  0.440353D+00
               111           112           113           114           115 
      1  -0.502666D+00  0.231375D+01 -0.450029D+00  0.976510D+00  0.114765D+02
      2   0.440353D+00 -0.450029D+00  0.854196D+00  0.238966D+00 -0.801336D+00
      3   0.178449D+01  0.976510D+00  0.238966D+00 -0.934885D+00  0.556560D+01
               116           117           118           119           120 
      1  -0.801336D+00  0.556560D+01 -0.116011D+01  0.135078D+01  0.309074D-01
      2   0.145231D+01 -0.707151D+00  0.135078D+01  0.815110D+00 -0.828474D-01
      3  -0.707151D+00  0.788205D+00  0.309074D-01 -0.828474D-01  0.857223D+00
               121           122           123           124           125 
      1   0.325514D+01  0.208361D+01 -0.586402D-01  0.727211D+00 -0.509749D-01
      2   0.208361D+01  0.668318D+01 -0.302872D+00 -0.509749D-01 -0.741255D-01
      3  -0.586402D-01 -0.302872D+00  0.139923D+01  0.123715D+01  0.854956D+00
               126           127           128           129           130 
      1   0.123715D+01  0.165008D+02  0.130166D+01 -0.381081D+01  0.331404D+01
      2   0.854956D+00  0.130166D+01  0.110379D+01 -0.190543D+00  0.152347D+01
      3  -0.323268D+00 -0.381081D+01 -0.190543D+00  0.227491D+01 -0.980891D+00
               131           132           133           134           135 
      1   0.152347D+01 -0.980891D+00 -0.895701D+00 -0.215688D+00  0.114333D+01
      2   0.284121D+00 -0.515562D+00 -0.215688D+00  0.272559D-01  0.400916D+00
      3  -0.515562D+00  0.933682D+00  0.114333D+01  0.400916D+00 -0.490546D+00
               136           137           138           139           140 
      1  -0.306984D+00  0.536590D+00 -0.900604D+00  0.128012D+01  0.381242D-02
      2   0.536590D+00 -0.597640D+00  0.523456D+00  0.381242D-02  0.730831D+00
      3  -0.900604D+00  0.523456D+00 -0.313343D+01 -0.218977D+00 -0.160434D+01
               141           142           143           144           145 
      1  -0.218977D+00 -0.303059D+00 -0.350374D-01 -0.447075D+00  0.715616D+00
      2  -0.160434D+01 -0.350374D-01 -0.125999D+01  0.159868D+01 -0.696845D+00
      3   0.284686D+01 -0.447075D+00  0.159868D+01 -0.699686D+01 -0.127396D+00
               146           147           148           149           150 
      1  -0.696845D+00 -0.127396D+00 -0.243285D+01  0.830000D+00  0.998297D+00
      2   0.104072D+00  0.296238D-01  0.830000D+00 -0.613039D+01 -0.170275D+01
      3   0.296238D-01 -0.533219D+00  0.998297D+00 -0.170275D+01 -0.201265D+01
               151           152           153           154           155 
      1   0.128859D+00  0.208250D+00 -0.139051D+00  0.205515D+02 -0.356617D+01
      2   0.208250D+00 -0.729203D+00 -0.749882D+00 -0.356617D+01  0.198616D+01
      3  -0.139051D+00 -0.749882D+00 -0.765957D+00  0.127175D+01 -0.359684D+00
               156           157           158           159           160 
      1   0.127175D+01 -0.665219D+01  0.472945D+01 -0.697584D+00  0.135605D+01
      2  -0.359684D+00  0.472945D+01 -0.301743D+01  0.286373D+00 -0.332245D+00
      3   0.264533D+01 -0.697584D+00  0.286373D+00 -0.895853D+00  0.231975D+01
               161           162           163           164           165 
      1  -0.332245D+00  0.231975D+01  0.152106D+02 -0.146442D+01  0.456984D+01
      2  -0.458885D+00 -0.816444D+00 -0.146442D+01  0.204298D+00  0.277480D+00
      3  -0.816444D+00 -0.304441D+00  0.456984D+01  0.277480D+00  0.124014D+01
               166           167           168           169           170 
      1  -0.478816D+01  0.311246D+00 -0.910054D+00  0.617929D+00  0.720110D+00
      2   0.311246D+00  0.141957D+00  0.147633D+01  0.720110D+00  0.340806D+00
      3  -0.910054D+00  0.147633D+01 -0.577573D+00  0.730660D+00  0.372625D+00
               171           172           173           174           175 
      1   0.730660D+00 -0.117709D+02  0.963149D+00 -0.245099D+01  0.352014D+01
      2   0.372625D+00  0.963149D+00 -0.320138D+00 -0.289388D+00 -0.321716D-01
      3   0.762488D+01 -0.245099D+01 -0.289388D+00 -0.322554D+01  0.778913D+00
               176           177           178           179           180 
      1  -0.321716D-01  0.778913D+00 -0.683770D+01  0.769237D-01 -0.254667D+01
      2   0.682414D+00  0.857267D+00  0.769237D-01  0.104878D+01  0.282593D+00
      3   0.857267D+00  0.117189D+01 -0.254667D+01  0.282593D+00  0.574054D+00
               181           182           183           184           185 
      1  -0.133146D+02  0.242940D+01  0.438618D+00  0.727686D+01  0.827560D+00
      2   0.242940D+01 -0.116121D+02  0.939304D-01  0.827560D+00 -0.547057D+01
      3   0.438618D+00  0.939304D-01 -0.270597D+01 -0.299246D+00 -0.111335D+00
               186           187           188           189           190 
      1  -0.299246D+00  0.279207D+00  0.234194D+00 -0.542406D+01 -0.365047D+02
      2  -0.111335D+00  0.234194D+00  0.704548D+00  0.332791D+01  0.106373D+01
      3   0.140923D+01 -0.542406D+01  0.332791D+01  0.127929D+01  0.169523D+01
               191           192           193           194           195 
      1   0.106373D+01  0.169523D+01  0.158065D+02 -0.750739D+00 -0.831745D+00
      2  -0.781503D+01 -0.155852D+00 -0.750739D+00  0.133967D+02  0.779452D-01
      3  -0.155852D+00 -0.431782D+01 -0.831745D+00  0.779452D-01  0.395692D+00
               196           197           198           199           200 
      1   0.219504D+01  0.109194D+00 -0.730274D+01  0.428495D+02 -0.417171D+01
      2   0.109194D+00  0.954879D+00  0.491484D+00 -0.417171D+01  0.810738D+01
      3  -0.730274D+01  0.491484D+00  0.140761D+01 -0.286252D+01 -0.667042D-02
               201           202           203           204           205 
      1  -0.286252D+01 -0.187504D+02 -0.793609D+00  0.109347D+01 -0.413556D+01
      2  -0.667042D-02 -0.793609D+00 -0.555284D+01  0.124196D+00  0.779826D-02
      3   0.505070D+00  0.109347D+01  0.124196D+00 -0.301505D+01  0.117908D+00
               206           207           208           209           210 
      1   0.779826D-02  0.117908D+00  0.429436D+01  0.125346D+01 -0.315633D+00
      2  -0.661659D+00 -0.372528D+01  0.125346D+01  0.306040D+01  0.814769D-01
      3  -0.372528D+01 -0.239148D+00 -0.315633D+00  0.814769D-01  0.990362D+00
               211           212           213           214           215 
      1   0.247755D+00 -0.228398D+01 -0.256517D+00 -0.384898D+00 -0.117811D+00
      2  -0.228398D+01  0.167424D+01  0.254164D+00 -0.117811D+00 -0.243139D+00
      3  -0.256517D+00  0.254164D+00 -0.123692D+01 -0.211516D+00  0.404947D+00
               216           217           218           219           220 
      1  -0.211516D+00  0.186073D+01 -0.193541D+01 -0.339521D+00 -0.225839D+01
      2   0.404947D+00 -0.193541D+01 -0.336852D+01  0.508232D+00  0.778840D+00
      3  -0.282512D-01 -0.339521D+00  0.508232D+00 -0.242580D+01  0.752243D+00
               221           222           223           224           225 
      1   0.778840D+00  0.752243D+00  0.369819D-01  0.565326D+00  0.135146D+01
      2  -0.122462D+01 -0.324271D+00  0.565326D+00  0.681020D-01  0.455775D+01
      3  -0.324271D+00  0.605498D+01  0.135146D+01  0.455775D+01  0.392519D+00
               226           227           228           229           230 
      1   0.548756D+00  0.129655D+01 -0.280418D-01  0.218003D+00  0.752746D+00
      2   0.129655D+01  0.247175D+01 -0.587363D-01  0.752746D+00  0.108921D+02
      3  -0.280418D-01 -0.587363D-01  0.131857D+00  0.661292D-01  0.918353D-01
               231           232           233           234           235 
      1   0.661292D-01 -0.361102D-01 -0.706643D-01 -0.195999D+00 -0.741020D+01
      2   0.918353D-01 -0.706643D-01  0.404511D-01  0.225932D+00  0.479219D+01
      3   0.780354D+00 -0.195999D+00  0.225932D+00  0.546638D-01  0.682550D+00
               236           237           238           239           240 
      1   0.479219D+01  0.682550D+00  0.544522D+01 -0.531176D+01 -0.491413D+00
      2  -0.406888D+01 -0.432725D+00 -0.531176D+01  0.608699D+01  0.525412D+00
      3  -0.432725D+00 -0.621597D+00 -0.491413D+00  0.525412D+00  0.719789D+00
               241           242           243           244           245 
      1   0.858034D+00 -0.517869D+00  0.320752D+00 -0.162227D+01 -0.211059D+01
      2  -0.517869D+00  0.473791D+00  0.251292D+00 -0.211059D+01 -0.119000D+01
      3   0.320752D+00  0.251292D+00  0.194393D-01  0.706758D-01  0.143547D+00
               246           247           248           249           250 
      1   0.706758D-01 -0.329409D+01 -0.324084D+01  0.124467D+00  0.207785D-01
      2   0.143547D+00 -0.324084D+01 -0.668800D+01  0.861439D-01  0.112865D+00
      3  -0.665487D-01  0.124467D+00  0.861439D-01 -0.480501D+00  0.117082D-01
               251           252           253           254           255 
      1   0.112865D+00  0.117082D-01  0.424346D+00  0.470965D+00 -0.614738D+00
      2  -0.649458D-01  0.913405D-01  0.470965D+00  0.464106D+00  0.579525D-01
      3   0.913405D-01 -0.196264D-01 -0.614738D+00  0.579525D-01  0.981311D+00
               256           257           258           259           260 
      1  -0.989090D+00 -0.182889D+01 -0.124588D+01 -0.401012D+01 -0.236947D+01
      2  -0.182889D+01 -0.267835D+01 -0.200884D+01 -0.236947D+01 -0.257334D+01
      3  -0.124588D+01 -0.200884D+01 -0.244994D+01 -0.246506D+01 -0.290510D+01
               261           262           263           264           265 
      1  -0.246506D+01 -0.165128D+02 -0.145652D+01  0.111134D+01  0.115862D+01
      2  -0.290510D+01 -0.145652D+01 -0.103456D+01  0.815647D-01 -0.112428D+01
      3  -0.499018D+01  0.111134D+01  0.815647D-01 -0.114576D+01 -0.959660D-01
               266           267           268           269           270 
      1  -0.112428D+01 -0.959660D-01  0.118897D+01  0.880660D-01 -0.159220D+01
      2   0.194389D+00  0.113974D+00  0.880660D-01  0.113834D+00 -0.482650D+00
      3   0.113974D+00 -0.779140D-01 -0.159220D+01 -0.482650D+00  0.318728D+00
               271           272           273           274           275 
      1   0.119644D+01  0.743949D+00  0.351406D+00 -0.761796D+00 -0.158055D+01
      2   0.743949D+00  0.937013D+00 -0.691285D+00 -0.158055D+01 -0.298253D+01
      3   0.351406D+00 -0.691285D+00  0.163384D+01  0.936903D+00  0.239096D+01
               276           277           278           279 
      1   0.936903D+00  0.303231D+01  0.175390D+01 -0.208367D+01
      2   0.239096D+01  0.175390D+01  0.259033D+01 -0.316341D+01
      3  -0.279219D+01 -0.208367D+01 -0.316341D+01  0.502218D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.211897D+01  0.317416D+01 -0.445183D+00  0.530564D+01 -0.322769D+01
      2   0.899281D+01 -0.829608D-01 -0.322118D+00  0.107719D+02 -0.119277D+01
      3   0.357317D+02  0.295346D+02 -0.178348D+01  0.539662D+02 -0.185948D+02
                 6             7             8             9            10 
      1  -0.518914D+00 -0.450397D+01  0.627377D+01  0.238519D+00 -0.117632D+01
      2   0.150551D+01 -0.201358D+02  0.305910D+01  0.171498D+01 -0.139656D+02
      3  -0.383192D+01 -0.807756D-01 -0.356939D+01  0.217297D+01 -0.251268D+02
                11            12            13            14            15 
      1   0.420153D+01  0.646125D+00  0.303961D+01 -0.762434D+00  0.794582D+00
      2   0.883336D+00 -0.573796D+01 -0.114110D+02  0.121108D+01 -0.300445D+00
      3   0.338507D+02  0.191120D+01  0.453754D+02 -0.223644D+02 -0.394522D+01
                16            17            18            19            20 
      1  -0.392089D+01  0.764083D+01  0.560100D+00 -0.315402D+01 -0.967092D+00
      2  -0.228541D+02  0.188907D+01  0.214202D+01 -0.163050D+02  0.254120D+01
      3   0.371086D+01 -0.388406D+01 -0.184863D+01 -0.474425D+02 -0.215792D+02
                21            22            23            24            25 
      1   0.116284D+01 -0.711951D+00 -0.127803D+01 -0.351425D+01 -0.693113D+01
      2  -0.561638D+00  0.846804D+01 -0.164216D+01  0.243733D+01 -0.165596D+02
      3   0.271754D+01  0.193322D+02 -0.338277D+01 -0.571728D+00  0.305122D+01
                26            27            28            29            30 
      1   0.295799D+00 -0.157294D+01 -0.801904D+00  0.124273D+01 -0.621064D+00
      2   0.724193D+01  0.149207D+01  0.207980D+02 -0.209293D+01  0.148613D+01
      3   0.218168D+01 -0.329615D+01  0.225383D+02  0.680725D+01 -0.921717D+00
                31            32            33            34            35 
      1   0.578346D+01  0.257665D+01  0.300364D+01 -0.237247D+01  0.145808D+02
      2  -0.704686D+00  0.927324D+00 -0.186729D+01 -0.177929D+02  0.195650D+01
      3   0.237294D+02  0.342823D+01  0.662379D+00  0.102218D+01 -0.147098D+01
                36            37            38            39            40 
      1   0.117961D+01 -0.298542D+00 -0.238585D+01  0.487031D+01 -0.123166D+01
      2   0.149772D+01 -0.173579D-01 -0.480336D+00  0.213507D+01 -0.563019D+01
      3   0.364763D+01 -0.259893D+02 -0.469938D+01  0.451253D+00 -0.736910D+01
                41            42            43            44            45 
      1  -0.228631D+01 -0.103935D+01  0.155357D+02  0.660259D+01 -0.869957D+00
      2   0.567727D+00 -0.160766D+01 -0.110640D+02 -0.668451D+01  0.130437D+01
      3  -0.974500D+01 -0.143331D+01 -0.551297D+00 -0.148426D+01 -0.475130D+01
                46            47            48            49            50 
      1   0.168766D+01 -0.553702D+00 -0.489927D+01 -0.168004D+01  0.203519D+01
      2  -0.214358D+01 -0.444976D-01  0.127283D+01 -0.659409D+00  0.540127D+00
      3   0.472509D+02 -0.265504D+02 -0.263699D+01 -0.142668D+02  0.228630D+02
                51            52            53            54            55 
      1  -0.320728D+01 -0.833744D+01 -0.225620D+01  0.250995D+01  0.198318D+01
      2  -0.754797D+00 -0.181851D+02 -0.106492D+01  0.880838D+00 -0.122899D+01
      3   0.191948D+01 -0.435527D+01  0.276179D+01  0.622188D+01  0.259718D+02
                56            57            58            59            60 
      1  -0.345436D+01 -0.669351D+01  0.117017D+00  0.212948D+01 -0.385266D+01
      2  -0.160758D+01 -0.648586D+01  0.104542D+01 -0.599296D+00 -0.419999D+01
      3  -0.143284D+02 -0.587362D+00  0.760303D-01  0.229346D+02  0.284975D+00
                61            62            63            64            65 
      1  -0.698294D+01 -0.367003D+01  0.152078D+01 -0.514628D+00  0.543758D-01
      2  -0.234201D+02 -0.670098D+01  0.212889D+01 -0.625929D-01  0.467682D+00
      3  -0.122720D+01  0.156784D+01  0.130099D+02 -0.516730D-01  0.546731D+00
                66            67            68            69            70 
      1  -0.111144D+01 -0.579104D+00 -0.162967D+01 -0.392922D+01  0.270314D+00
      2   0.356401D+00  0.659012D+00  0.570333D+00  0.151408D+01 -0.220806D+01
      3   0.115420D+00  0.472278D+01 -0.486930D+01 -0.295226D-01  0.478526D-01
                71            72            73            74            75 
      1   0.202541D+01  0.224414D+00 -0.545498D+00 -0.523995D+00  0.251952D+01
      2  -0.778551D+00 -0.315266D-01  0.200095D+01 -0.992721D+00  0.161961D+01
      3  -0.154504D+00  0.510653D+00 -0.944268D+01  0.518151D-01  0.816348D+00
                76            77            78            79            80 
      1  -0.103506D+01  0.141427D+01 -0.274969D+01 -0.207973D+01  0.153437D+01
      2  -0.134533D+01  0.115062D+01 -0.238687D+01 -0.266508D+01  0.181395D+00
      3   0.151828D+01  0.255233D+01  0.212977D-01  0.192585D+01  0.618755D-01
                81            82            83            84            85 
      1   0.626281D-01  0.796414D+00  0.940991D+00 -0.114886D+01  0.369475D+00
      2  -0.459037D-01 -0.243036D+00 -0.345315D+00  0.691441D+00 -0.248802D+00
      3   0.620690D+00  0.538979D+01  0.236649D+01 -0.288677D+00  0.521647D+01
                86            87            88            89            90 
      1   0.286680D+01 -0.441452D+01  0.101643D+01  0.199998D+01 -0.595746D-01
      2  -0.528616D+00  0.991068D+00 -0.733228D+00  0.118976D+01  0.261977D-01
      3   0.400158D+01  0.100047D+00 -0.497008D+00 -0.274791D+00 -0.121769D+01
                91            92            93            94            95 
      1  -0.255913D+01  0.732693D+00  0.100842D+01  0.238497D+01  0.233762D+01
      2  -0.147659D+02  0.113505D+01 -0.907454D+01 -0.974481D+00 -0.138278D+01
      3  -0.139921D+02 -0.514381D+01  0.171894D+00  0.118236D+02  0.235114D+02
                96            97            98            99           100 
      1  -0.289449D+01  0.321427D+01  0.334716D+01 -0.111218D+01  0.447127D+01
      2   0.372015D+01 -0.406508D+02  0.504418D+01 -0.363180D+01 -0.137028D+02
      3  -0.375812D+00  0.461997D+00  0.170370D+00 -0.948970D+01  0.155378D+02
               101           102           103           104           105 
      1  -0.246557D+01  0.733095D+00  0.351353D+00 -0.111516D+02 -0.688454D+01
      2  -0.431864D+01  0.225063D+02 -0.317254D+01  0.649957D+01 -0.115859D+02
      3  -0.580660D+01 -0.808785D+00 -0.570583D+00 -0.241362D+02 -0.612875D+01
               106           107           108           109           110 
      1  -0.141387D+01 -0.948404D+00  0.730818D+01  0.759854D+01 -0.242681D+01
      2   0.172626D+02 -0.917708D+01  0.756273D+01  0.165298D+02 -0.168416D+01
      3  -0.419117D+01 -0.460058D+01  0.112978D+02  0.340574D+00  0.140624D+02
               111           112           113           114           115 
      1  -0.842941D+01 -0.136700D+02  0.283704D+01 -0.146315D+02 -0.827630D+01
      2   0.426492D+01  0.898180D+00  0.154504D+01  0.725196D+01  0.166024D+02
      3   0.196604D+01  0.194391D+02 -0.156466D+02  0.170003D+01  0.802448D+01
               116           117           118           119           120 
      1  -0.424005D+01 -0.304935D+01 -0.626638D+00 -0.692834D+00 -0.346047D+00
      2   0.688929D+00  0.120116D+01 -0.338815D+00  0.426093D+00  0.360212D+01
      3  -0.986164D-01  0.598344D+01 -0.762462D+01 -0.291290D+01  0.127045D+00
               121           122           123           124           125 
      1  -0.828403D+00 -0.377026D+01 -0.249928D+01 -0.277102D+00  0.400333D+00
      2   0.110512D+01  0.536992D+00  0.452559D+01  0.245466D+01  0.243704D+01
      3  -0.195212D+01 -0.241701D+02  0.875014D+00  0.930550D+00  0.575895D-01
               126           127           128           129           130 
      1   0.208430D+00 -0.220593D+01 -0.330423D+01 -0.917366D-01 -0.308513D+01
      2  -0.474616D+00  0.129441D+02  0.175643D+01  0.682845D+01  0.166705D+01
      3  -0.189812D+01 -0.521420D+01 -0.791349D+01  0.728338D+00 -0.557187D+01
               131           132           133           134           135 
      1  -0.503433D-01 -0.531932D-01  0.712760D+00  0.890195D+00 -0.831331D+00
      2   0.395277D+00  0.274779D+01  0.251172D+01  0.782234D+00  0.298564D+00
      3  -0.412725D+00  0.197532D+01  0.381843D+00  0.185356D+01 -0.149486D+01
               136           137           138           139           140 
      1  -0.188146D+01  0.279053D+01 -0.951202D+00  0.101460D+01 -0.202572D+01
      2  -0.684314D+01  0.347122D+01 -0.134396D+02  0.237647D+01 -0.648641D+01
      3  -0.280981D+01  0.239001D+01 -0.200069D+01  0.191228D+01 -0.236776D+01
               141           142           143           144           145 
      1   0.210367D+01 -0.595890D-01  0.481478D+01 -0.354430D+01  0.256100D+01
      2   0.109626D+02 -0.605224D+01  0.692735D+01 -0.281109D+02 -0.135403D+00
      3   0.584423D+01  0.215085D+00  0.434766D+01 -0.629950D+01  0.463901D+01
               146           147           148           149           150 
      1   0.213106D+00 -0.478797D+00 -0.288992D+00  0.142845D+02  0.438459D+00
      2  -0.117033D+01 -0.181270D+01 -0.812119D+00 -0.575254D+01 -0.626447D+01
      3   0.306366D+00 -0.585979D+00  0.117734D+01  0.270333D+02  0.630104D+01
               151           152           153           154           155 
      1  -0.507207D+00  0.237115D+01  0.121264D+01 -0.578439D+01  0.294874D+01
      2  -0.105525D+01 -0.224722D+01 -0.307231D+01 -0.833201D+01  0.116956D+01
      3  -0.177771D+01  0.253155D+01  0.312556D+01  0.134368D+02 -0.227848D+02
               156           157           158           159           160 
      1   0.408252D+01  0.931162D+01 -0.395383D+01 -0.404323D+00  0.195059D+01
      2   0.217072D+02 -0.386784D+01 -0.179301D+01 -0.962278D+01  0.559980D+01
      3   0.247709D+00 -0.197988D+02  0.191272D+02 -0.182164D+01  0.871760D-01
               161           162           163           164           165 
      1   0.288759D+01 -0.636247D+00 -0.912585D+01  0.257300D+01  0.683609D+00
      2  -0.320330D+01 -0.242424D+01 -0.130415D+02  0.479483D+01  0.191424D+01
      3  -0.706091D+00  0.305292D+01  0.118537D+02 -0.427191D+01  0.634433D+00
               166           167           168           169           170 
      1   0.741227D+01 -0.128857D+00  0.491148D+01 -0.129469D+01  0.907495D+01
      2   0.663636D+01  0.526691D+01 -0.324984D+01 -0.673036D+01  0.113174D+01
      3  -0.372808D+01  0.333640D-01 -0.785015D+01 -0.213512D+01 -0.244535D+01
               171           172           173           174           175 
      1  -0.882572D+00  0.893261D+01 -0.251083D+01  0.215182D+01 -0.751165D+01
      2   0.266731D+02  0.238516D+02 -0.406395D+01 -0.708926D+01 -0.619550D+01
      3  -0.179419D+01 -0.936826D+01  0.236904D+01 -0.115604D+01  0.729051D+01
               176           177           178           179           180 
      1   0.552268D+00 -0.272082D+01  0.254776D+01 -0.856585D+00  0.112272D+01
      2   0.367009D+01  0.278789D+01 -0.136971D+01  0.531032D+00  0.374724D+01
      3  -0.107729D+01 -0.939652D+00 -0.469817D+01  0.354734D+00 -0.197022D+01
               181           182           183           184           185 
      1  -0.238518D+00  0.180425D+01  0.712611D+01 -0.105589D+01 -0.157683D+01
      2  -0.125826D+01  0.771599D-01  0.921206D+01  0.120414D+01  0.181378D+01
      3  -0.235788D+02 -0.101046D+02  0.115845D+01 -0.401013D+01 -0.290934D+02
               186           187           188           189           190 
      1  -0.125354D+01  0.173585D+02  0.684328D+01 -0.270189D+01 -0.160312D+01
      2  -0.337410D+01  0.291570D+01 -0.127694D+02 -0.267426D+01 -0.767466D+01
      3  -0.559742D+00  0.150693D+00 -0.604167D+00 -0.199593D+01 -0.244164D+02
               191           192           193           194           195 
      1   0.447718D+01  0.103388D+01  0.515699D+01 -0.991270D+00  0.449765D+01
      2  -0.196889D+00  0.339863D+01  0.292094D+01 -0.183646D+01 -0.853324D+00
      3   0.187472D+02  0.226780D+01  0.603703D+02  0.236524D+02 -0.437317D+01
               196           197           198           199           200 
      1  -0.321373D+01  0.148061D+02  0.651226D+00  0.568775D+00 -0.311522D+01
      2   0.285650D+01 -0.154175D+01 -0.198899D+01  0.990071D+01 -0.118379D+00
      3   0.379972D+01 -0.239847D+01 -0.487138D+00  0.154879D+02 -0.230334D+02
               201           202           203           204           205 
      1  -0.251251D+00 -0.127659D+01  0.104518D+01 -0.374942D+01 -0.124203D+01
      2   0.252777D+01 -0.295954D+01 -0.338220D+00  0.689390D+01 -0.219903D+02
      3  -0.209900D+01 -0.191253D+02 -0.131249D+01  0.222760D+01 -0.296126D+01
               206           207           208           209           210 
      1   0.260506D+01  0.411864D+00  0.149224D+01 -0.410346D+01 -0.116817D+01
      2   0.130727D+02  0.187469D+01  0.435242D+00  0.574524D+00  0.894493D+01
      3   0.220210D+01 -0.627886D+01  0.205626D+02 -0.395596D+02 -0.234423D+01
               211           212           213           214           215 
      1  -0.399953D+00  0.744428D-01 -0.779335D+01  0.387025D+01 -0.424621D+00
      2   0.841886D+00 -0.597454D+00  0.933438D+01 -0.564298D+01 -0.473736D+01
      3  -0.219765D+01  0.295919D+01  0.777591D+00 -0.216649D+01  0.336043D+01
               216           217           218           219           220 
      1  -0.391354D+00 -0.201766D+01  0.697414D+00 -0.382658D+01  0.478699D+00
      2  -0.332694D+00  0.203363D+01 -0.255366D+01  0.130073D+02 -0.334069D+01
      3   0.182466D+01 -0.373932D+02 -0.147265D+02  0.620883D+01 -0.137929D+01
               221           222           223           224           225 
      1   0.129527D+01  0.108278D+02  0.123277D+02  0.125946D+02  0.175351D+01
      2   0.110857D+01 -0.354195D+02 -0.454401D+01 -0.246597D+02 -0.268734D+01
      3   0.183722D+02 -0.163479D+01  0.501859D+01 -0.686818D+00  0.326924D+02
               226           227           228           229           230 
      1   0.254377D+00  0.270211D+00 -0.132489D+01 -0.132550D+00 -0.233446D+00
      2   0.117873D-01  0.124277D+00  0.341203D+00 -0.161755D+00 -0.415572D+00
      3   0.701827D+01  0.666064D+01 -0.396851D+00  0.500140D+01  0.230874D+02
               231           232           233           234           235 
      1  -0.480416D+01  0.636046D+00  0.211723D+01 -0.139214D+00 -0.101713D+01
      2  -0.407336D+00  0.363160D+00  0.195247D+00 -0.126007D+00 -0.163949D+01
      3   0.353511D+00 -0.529786D+00 -0.243558D+00 -0.586526D+00 -0.203670D+00
               236           237           238           239           240 
      1   0.271127D+00  0.254262D+01  0.294848D+00 -0.107211D+00 -0.307299D+01
      2   0.105996D+01  0.368526D+01  0.112134D+01 -0.133637D+01 -0.392015D+01
      3  -0.676958D+01 -0.112978D+00 -0.685248D+01  0.128438D+02  0.947126D+00
               241           242           243           244           245 
      1  -0.281155D+01  0.100750D+01  0.256913D-01  0.342026D+00  0.322390D+00
      2  -0.321309D+01 -0.101504D+01 -0.130887D+00 -0.409772D+00 -0.557473D+00
      3   0.192346D+00  0.735420D+00  0.151887D+01 -0.852188D+00 -0.125124D+01
               246           247           248           249           250 
      1  -0.565510D+00  0.458800D+00  0.228888D+00 -0.315869D+01 -0.185092D+00
      2   0.266593D+00 -0.571263D+00 -0.348613D+00  0.165258D+01 -0.159389D+01
      3   0.839362D-01 -0.519755D+00 -0.160302D+02 -0.129831D+00  0.138654D+00
               251           252           253           254           255 
      1   0.153783D+01  0.381541D-01 -0.522542D+00  0.298672D+00  0.218515D+01
      2  -0.141794D+01  0.811465D-01  0.541691D+01  0.178907D+00 -0.467787D+01
      3  -0.419536D+00  0.587141D+00  0.427717D+00  0.515071D+01  0.198692D+01
               256           257           258           259           260 
      1  -0.150878D+01 -0.318295D+01 -0.556774D+01 -0.467386D+01 -0.319234D+01
      2   0.597418D+01  0.105691D+02  0.138160D+02  0.774511D+01  0.157046D+02
      3  -0.600848D+01 -0.190417D+02 -0.123551D+02 -0.772894D+01 -0.168232D+02
               261           262           263           264           265 
      1  -0.101041D+02  0.112438D+01 -0.471235D+00 -0.153200D+01 -0.260586D+00
      2   0.267380D+02 -0.260589D+01 -0.134038D+00  0.901461D+01  0.286947D+00
      3  -0.197032D+02  0.115379D+02 -0.825904D+01 -0.100547D+01 -0.537219D+01
               266           267           268           269           270 
      1   0.190820D+00 -0.888867D+00 -0.208900D+01 -0.376418D+00  0.203096D+00
      2  -0.367655D+00  0.616673D+00  0.706499D+01  0.242723D+01 -0.155324D+01
      3   0.229873D+01  0.639542D+00 -0.100135D+01  0.899450D+00 -0.198483D+01
               271           272           273           274           275 
      1   0.141827D+00 -0.379022D-01  0.313891D+01  0.630273D+00  0.138767D+01
      2  -0.505490D+01  0.288395D+01 -0.784250D+01 -0.392179D+01 -0.117546D+02
      3   0.548261D+00  0.833712D+01 -0.596544D+01 -0.432428D+01 -0.212202D+02
               276           277           278           279 
      1  -0.471350D+01 -0.303459D+01 -0.177271D+01  0.776396D+01
      2   0.150570D+02  0.517932D+01  0.163040D+02 -0.252274D+02
      3   0.144995D+02  0.474248D+01  0.167783D+02 -0.211697D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.641546D+02  0.175785D+02  0.401767D+01 -0.868250D+02 -0.692443D+00
      2   0.257383D+02 -0.102063D+02 -0.221063D+01  0.350988D+02  0.131789D+02
      3   0.384162D+02 -0.737216D+01 -0.180704D+01  0.517262D+02 -0.124864D+02
      4  -0.139391D+02  0.156534D+02  0.157702D+01  0.122710D+02 -0.226112D+02
      5   0.873103D+00 -0.960812D+00 -0.209258D+01 -0.314988D+01  0.159336D+01
      6   0.748296D+00 -0.108185D+01  0.117675D+01  0.199635D+01 -0.173669D+01
                 6             7             8             9            10 
      1   0.718096D+01  0.514616D+01 -0.113992D+01 -0.958500D+01  0.755850D+02
      2  -0.261499D+01 -0.269414D+01  0.166406D+01 -0.630961D+00 -0.206744D+02
      3  -0.456597D+01 -0.245201D+01 -0.524140D+00  0.102160D+02 -0.549107D+02
      4  -0.145735D+01  0.982666D+00 -0.137545D+01 -0.162688D+01  0.330240D+02
      5   0.450049D+01  0.106915D+01 -0.638727D+00  0.175930D+01 -0.981705D+00
      6  -0.610409D+00  0.344683D+01  0.520696D+01 -0.950191D+00 -0.304648D+01
                11            12            13            14            15 
      1   0.152287D+02 -0.728982D+01  0.914282D+02 -0.191478D+02 -0.718593D+01
      2  -0.112177D+02  0.138248D+01 -0.329429D+02  0.126078D+02  0.312467D+01
      3  -0.401102D+01  0.590734D+01 -0.584852D+02  0.654002D+01  0.406126D+01
      4   0.986503D+01 -0.133574D+01 -0.264546D+02  0.204911D+02  0.184525D+01
      5  -0.858124D+00 -0.132395D+02  0.237599D+01 -0.881196D+00 -0.255952D+01
      6   0.593313D+00 -0.254693D+00 -0.465383D+00  0.197569D+01 -0.246913D+01
                16            17            18            19            20 
      1  -0.483101D+01 -0.115414D+01 -0.633174D+01  0.436459D+02 -0.261323D+02
      2   0.340949D+00  0.703001D+00 -0.258247D+01 -0.907010D+01  0.138618D+02
      3   0.449007D+01  0.451136D+00  0.891421D+01 -0.345758D+02  0.122705D+02
      4  -0.266286D+01 -0.391456D-01  0.475584D+01  0.204432D+01 -0.240220D+02
      5   0.156403D+01  0.318565D+01  0.285035D+01  0.907271D+00  0.160266D+01
      6   0.263740D+01  0.405832D+01 -0.185605D+00 -0.127012D+01  0.499762D+01
                21            22            23            24            25 
      1  -0.798825D+01  0.120133D+02  0.193947D+02  0.366145D+01 -0.480562D+01
      2   0.351314D+01 -0.273956D+02 -0.251483D+02 -0.236063D+00  0.290985D+00
      3   0.447511D+01  0.153823D+02  0.575360D+01 -0.342539D+01  0.451464D+01
      4  -0.423834D-01  0.876274D+01 -0.110867D+01 -0.306637D+00  0.170517D+01
      5  -0.460914D+01 -0.128354D+01 -0.435583D-01  0.950273D+01  0.129904D+02
      6  -0.400006D+00  0.791188D+00 -0.202554D+01  0.693596D+01  0.383709D+01
                26            27            28            29            30 
      1   0.801796D+01 -0.117712D+02  0.161999D+02 -0.737026D+01  0.542852D+01
      2  -0.288209D+01 -0.148705D+00 -0.395207D+02  0.676920D+01 -0.708675D+00
      3  -0.513587D+01  0.119199D+02  0.233208D+02  0.601065D+00 -0.471985D+01
      4   0.181521D+01  0.694440D+01 -0.275843D+01  0.146778D+02  0.156865D+00
      5   0.884364D+01  0.221420D+01 -0.727802D+01  0.181766D+01  0.113831D+02
      6   0.131927D+02 -0.251281D+01  0.124508D+01 -0.259851D+01  0.265103D+01
                31            32            33            34            35 
      1   0.433652D+02 -0.461680D+02 -0.126685D+01  0.562467D+01 -0.220388D+01
      2  -0.292985D+02  0.404579D+02  0.174447D+01 -0.124538D+00  0.112334D+01
      3  -0.140666D+02  0.571007D+01 -0.477618D+00 -0.550014D+01  0.108055D+01
      4  -0.284661D+02 -0.163031D+02  0.220585D+00 -0.236659D+01 -0.656530D+00
      5  -0.215998D+01  0.180918D+01 -0.361947D+01  0.340489D+02 -0.340037D+01
      6   0.745699D+00  0.470209D+01 -0.466969D+01  0.449740D+01  0.331598D+01
                36            37            38            39            40 
      1   0.544082D+00 -0.226470D+02  0.573923D+02  0.486206D+01 -0.413897D+02
      2  -0.122389D+02  0.130479D+02 -0.385686D+02 -0.108127D+01  0.430275D+02
      3   0.116948D+02  0.959903D+01 -0.188237D+02 -0.378079D+01 -0.163783D+01
      4  -0.305422D+00  0.267593D+02  0.433393D+01 -0.290131D+01  0.169891D+02
      5  -0.128242D+01  0.492379D+00 -0.480957D+01  0.463548D+01  0.316834D+01
      6  -0.885592D+00 -0.366681D+01 -0.456923D+01 -0.101492D+02 -0.111112D+01
                41            42            43            44            45 
      1   0.255902D+02  0.634647D+00  0.276976D+01 -0.683301D+01 -0.127847D+02
      2  -0.241203D+02 -0.258791D+01  0.310006D+01  0.168839D+01 -0.565440D+00
      3  -0.146989D+01  0.195326D+01 -0.586983D+01  0.514462D+01  0.133501D+02
      4   0.244170D+02  0.385300D+00 -0.422545D+01  0.162774D+01 -0.691020D+01
      5  -0.118527D+01 -0.845073D+01  0.137231D+02 -0.750008D+01 -0.227625D+01
      6  -0.358092D+01  0.227505D+01 -0.179372D+02  0.916568D+01  0.493958D+01
                46            47            48            49            50 
      1   0.275856D+02 -0.447612D+02 -0.654911D+01  0.169072D+02  0.513988D+01
      2  -0.213532D+02  0.285682D+02  0.196606D+01 -0.128783D+02 -0.159934D+02
      3  -0.623237D+01  0.161930D+02  0.458305D+01 -0.402886D+01  0.108535D+02
      4  -0.319269D+02 -0.127488D+02  0.214355D+01  0.182580D+02 -0.105635D+02
      5   0.324772D+01  0.203317D+01  0.993562D+00  0.170435D+00 -0.493191D+00
      6   0.214435D+01  0.652444D+01  0.826424D+01 -0.158620D+01 -0.202667D+00
                51            52            53            54            55 
      1  -0.121286D+01 -0.427590D+01  0.292517D+01 -0.211724D+02 -0.191078D+02
      2  -0.638162D+00  0.262297D+01 -0.502543D+01  0.881892D+01  0.378226D+01
      3   0.185103D+01  0.165292D+01  0.210026D+01  0.123535D+02  0.153255D+02
      4  -0.106337D+01  0.330030D+01  0.284809D+01  0.118530D+01  0.285837D+02
      5   0.263393D+00  0.350101D+01 -0.233136D+00  0.230899D+01 -0.366375D+01
      6   0.835841D+01  0.224505D+01  0.203196D+02  0.163340D+01  0.118531D+01
                56            57            58            59            60 
      1  -0.308642D+02 -0.252765D+01  0.120231D+01  0.149203D+02  0.438705D+00
      2   0.287255D+02  0.134151D+01 -0.637869D+01 -0.204025D+02 -0.187930D+00
      3   0.213878D+01  0.118614D+01  0.517638D+01  0.548219D+01 -0.250774D+00
      4  -0.603131D+02 -0.298101D+01  0.151541D+02 -0.122622D+02  0.214613D-01
      5   0.142285D+01 -0.114834D+02  0.601053D+00 -0.783010D-01 -0.635879D+01
      6   0.297434D+01  0.125780D+02 -0.337826D+00 -0.457556D+00  0.999739D+01
                61            62            63            64            65 
      1  -0.655856D+00  0.253946D+01 -0.279340D+02 -0.126904D+01 -0.376262D+01
      2   0.960722D+00 -0.331039D+01  0.148495D+02  0.560531D+01  0.627514D+01
      3  -0.304866D+00  0.770933D+00  0.130845D+02 -0.433627D+01 -0.251252D+01
      4  -0.290648D+01  0.782953D+01 -0.118703D+02  0.878765D+01  0.120248D+02
      5  -0.199219D+01 -0.166391D+02  0.378968D+01 -0.817511D+00 -0.684326D+00
      6   0.219878D+01  0.249633D+02 -0.207531D+01 -0.126932D+01 -0.150922D+01
                66            67            68            69            70 
      1   0.157412D+00 -0.877123D+01 -0.311755D+02  0.121260D+01 -0.115555D+01
      2  -0.801577D-01  0.134199D+02  0.408970D+02 -0.897604D+00  0.759079D+00
      3  -0.772539D-01 -0.464865D+01 -0.972140D+01 -0.314992D+00  0.396473D+00
      4  -0.483338D+00  0.132509D+02  0.224793D+02 -0.551056D+00 -0.319442D+00
      5   0.143399D+01 -0.579808D+00  0.244714D+00  0.224479D+01 -0.304135D+00
      6   0.135414D+01 -0.185365D+01 -0.486263D+01  0.583573D+01  0.129297D+01
                71            72            73            74            75 
      1  -0.139460D+00 -0.302489D+01  0.673497D+01  0.154676D+01 -0.526179D-01
      2   0.225242D-01  0.343243D+01  0.140671D+01 -0.770519D+01  0.983728D-01
      3   0.116936D+00 -0.407532D+00 -0.814167D+01  0.615843D+01 -0.457549D-01
      4  -0.522713D+00  0.770434D+00 -0.219231D+02  0.180002D+02  0.172916D+01
      5   0.102681D+00 -0.348174D+00 -0.495197D+01  0.217210D+01  0.419059D+01
      6   0.263731D+01 -0.295679D+00  0.311975D+01 -0.243518D+01 -0.224011D+01
                76            77            78            79            80 
      1   0.541689D+01 -0.129845D+02 -0.151241D+01 -0.129716D+01 -0.469437D+00
      2  -0.137373D+02  0.224447D+02  0.129432D+01  0.480337D-01  0.760065D+00
      3   0.832039D+01 -0.946028D+01  0.218095D+00  0.124912D+01 -0.290628D+00
      4   0.241310D+02 -0.260073D+02 -0.218366D+01  0.200786D+01 -0.145669D+01
      5   0.288543D+01 -0.246454D+01 -0.351074D+01  0.282350D-01 -0.132340D+01
      6  -0.382198D+01  0.472735D+01  0.475180D+01  0.875261D+00  0.213048D+01
                81            82            83            84            85 
      1   0.388088D-03 -0.431397D+01 -0.792100D+01  0.372035D+00 -0.583620D+01
      2   0.964860D+00  0.671501D+01  0.115281D+02 -0.254507D+00  0.732936D+01
      3  -0.965248D+00 -0.240103D+01 -0.360714D+01 -0.117529D+00 -0.149316D+01
      4  -0.226103D+01  0.447589D+01  0.126549D+02  0.267143D+00  0.734835D+01
      5  -0.340474D+00  0.841903D+00  0.127703D+01  0.191866D+01  0.690513D+00
      6   0.499480D+00  0.658856D+00  0.364096D+00  0.139862D+01  0.809938D+00
                86            87            88            89            90 
      1  -0.478165D+02 -0.100901D+01  0.885965D+00  0.125236D+00 -0.159745D+01
      2   0.628829D+02  0.684924D+00 -0.661298D+00 -0.686566D-01  0.201939D+01
      3  -0.150664D+02  0.324090D+00 -0.224668D+00 -0.565794D-01 -0.421938D+00
      4   0.149414D+02  0.391704D+00 -0.134349D+00 -0.764808D+00  0.222176D+01
      5   0.297477D+01  0.110780D+01  0.995739D+00  0.194479D+01 -0.236416D-01
      6   0.468654D+01  0.685596D+01  0.230270D+00  0.295491D+01 -0.510329D-01
                91            92            93            94            95 
      1  -0.172238D+02  0.740025D+01 -0.122590D+02  0.107364D+02  0.964493D+01
      2   0.273840D+02 -0.840647D+01 -0.143629D+01 -0.149897D+02 -0.182071D+02
      3  -0.101602D+02  0.100623D+01  0.136952D+02  0.425324D+01  0.856212D+01
      4   0.958254D+01 -0.237881D+01 -0.993535D+00 -0.475401D+01 -0.427491D+02
      5   0.420590D+00 -0.241015D+01 -0.270331D+02 -0.152856D+02 -0.807959D+00
      6  -0.220700D+01  0.276362D+01  0.953947D+00 -0.295264D+00  0.596009D+01
                96            97            98            99           100 
      1  -0.674277D+01 -0.710404D+01 -0.296755D+00 -0.282857D+02 -0.745041D+02
      2   0.100720D+02 -0.437291D+01  0.318957D+00  0.232798D+02  0.403030D+02
      3  -0.332921D+01  0.114770D+02 -0.222018D-01  0.500595D+01  0.342011D+02
      4  -0.104197D+01 -0.246425D+01 -0.107302D+01  0.866179D+01 -0.259034D+02
      5   0.877574D+01 -0.702213D+02  0.985066D+01  0.696711D+01  0.381238D+02
      6   0.190183D+01  0.257373D+01  0.240516D+00 -0.367490D+01  0.117365D+02
               101           102           103           104           105 
      1  -0.187492D+02  0.330227D+02 -0.323937D+02  0.113416D+02 -0.603525D+01
      2   0.759642D+01 -0.298207D+01  0.238523D+02 -0.744162D+01 -0.108998D+02
      3   0.111528D+02 -0.300406D+02  0.854144D+01 -0.390001D+01  0.169351D+02
      4   0.555807D+01  0.455306D+00  0.220888D+01  0.388442D+02  0.107550D+02
      5   0.454819D+01  0.191730D+02  0.172833D+02  0.713702D+01 -0.186095D+02
      6  -0.362522D+01  0.189981D+01 -0.170773D+01 -0.185548D+02 -0.660723D+01
               106           107           108           109           110 
      1   0.151194D+01 -0.764988D+01  0.360479D+02 -0.993639D+02  0.206252D+02
      2   0.189938D+02 -0.537465D+01 -0.164008D+02  0.416497D+02 -0.315222D+01
      3  -0.205057D+02  0.130245D+02 -0.196471D+02  0.577142D+02 -0.174730D+02
      4   0.230093D+01  0.643549D+01 -0.160894D+02  0.338198D+02 -0.220713D+02
      5   0.472483D+02 -0.146130D+02 -0.197034D+02 -0.179618D+02  0.803526D+01
      6  -0.250459D+01 -0.343358D+01  0.146473D+02  0.645697D+01 -0.170686D+01
               111           112           113           114           115 
      1  -0.842852D+01  0.336812D+02 -0.134838D+02  0.343556D+01  0.380176D+02
      2   0.390708D+01 -0.831269D+01  0.951983D+01 -0.267902D+01 -0.266529D+02
      3   0.452143D+01 -0.253685D+02  0.396399D+01 -0.756537D+00 -0.113647D+02
      4   0.507204D+01 -0.398398D+01  0.218428D+02  0.889884D+00 -0.345215D+01
      5  -0.113334D+01  0.147107D+02 -0.982379D+00  0.156841D+01  0.360223D+02
      6   0.320289D+01 -0.160987D+01  0.334239D+01  0.136378D+01 -0.443633D+01
               116           117           118           119           120 
      1   0.229098D+00  0.315781D+02 -0.391733D+01  0.649723D+01  0.154773D+01
      2   0.167488D+01 -0.869315D+01  0.766749D+01 -0.136655D+01 -0.783688D+00
      3  -0.190397D+01 -0.228849D+02 -0.375016D+01 -0.513069D+01 -0.764046D+00
      4   0.456752D+01 -0.731437D+01  0.121452D+02  0.111162D+02 -0.811650D+00
      5  -0.708648D+01  0.819172D+01  0.610638D+00 -0.122424D+01  0.790540D+01
      6  -0.289228D+01 -0.356879D+01 -0.131402D+01 -0.109758D+01  0.187544D+00
               121           122           123           124           125 
      1   0.101100D+02 -0.129824D+02  0.295103D+01  0.340820D+01 -0.371958D+00
      2   0.330708D+00  0.277331D+02 -0.166733D+01 -0.197287D+01  0.181834D+01
      3  -0.104407D+02 -0.147507D+02 -0.128370D+01 -0.143533D+01 -0.144638D+01
      4   0.193864D+02  0.502185D+02 -0.227399D+01 -0.614825D-01 -0.121931D+00
      5  -0.844291D+00 -0.205451D+01  0.104233D+02  0.100508D+02  0.541983D+01
      6  -0.168201D+01 -0.658327D+01  0.456508D+01  0.169643D+01  0.588236D+01
               126           127           128           129           130 
      1   0.890381D+00  0.116770D+03  0.115400D+02 -0.212629D+02  0.217607D+02
      2  -0.332336D+00 -0.702294D+02 -0.550367D+01  0.184186D+02 -0.121481D+02
      3  -0.558045D+00 -0.465405D+02 -0.603637D+01  0.284431D+01 -0.961257D+01
      4   0.582884D+01  0.181866D+02  0.143943D+02 -0.349038D+01  0.194734D+02
      5  -0.213311D+01 -0.650161D+02 -0.533280D+01  0.294424D+02 -0.142843D+02
      6  -0.526523D+00 -0.776250D+01 -0.549640D+01  0.162161D+01 -0.681083D+01
               131           132           133           134           135 
      1   0.994723D+01 -0.268316D+01 -0.712489D+01  0.627609D+00  0.689566D+01
      2  -0.420798D+01  0.434540D+01  0.739987D+01  0.130747D+01 -0.709393D+01
      3  -0.573925D+01 -0.166224D+01 -0.274980D+00 -0.193508D+01  0.198269D+00
      4   0.360925D+01 -0.550966D+01 -0.867915D+00 -0.215550D+01  0.367564D+01
      5  -0.718120D+01  0.840478D+01  0.166079D+02  0.343878D+01 -0.759155D+01
      6  -0.819350D+00  0.355641D+01  0.156181D+01  0.164365D+01 -0.205060D+01
               136           137           138           139           140 
      1  -0.396173D+01  0.722601D+01 -0.221905D+02  0.786707D+01 -0.101140D+02
      2  -0.155862D+01 -0.154287D+01 -0.150149D+01 -0.485442D+01  0.185316D+01
      3   0.552035D+01 -0.568314D+01  0.236920D+02 -0.301266D+01  0.826087D+01
      4   0.375764D+01 -0.387953D+01  0.300353D+01  0.161369D+01  0.434732D+01
      5  -0.197168D+01  0.261329D+00 -0.113794D+02 -0.570219D+01 -0.807545D+01
      6  -0.321845D+01  0.454004D+01 -0.450216D+01 -0.101153D+00 -0.605973D+01
               141           142           143           144           145 
      1   0.126957D+02 -0.853192D+01  0.844692D+01 -0.378025D+02  0.735543D+01
      2   0.347273D+01  0.238926D+01  0.225701D+01 -0.126585D+02 -0.208588D+01
      3  -0.161684D+02  0.614265D+01 -0.107039D+02  0.504611D+02 -0.526955D+01
      4  -0.108904D+02 -0.551711D+00 -0.868003D+01  0.118611D+02 -0.481384D+01
      5   0.165316D+02  0.492614D+01  0.883245D+01 -0.371434D+02 -0.428914D+01
      6   0.120092D+02 -0.948042D-01  0.915152D+01 -0.124311D+02  0.220151D+01
               146           147           148           149           150 
      1  -0.499271D+01 -0.546118D+01 -0.112717D+02 -0.995254D+01 -0.276327D+01
      2   0.255485D+01  0.655933D+00  0.684594D+01  0.133646D+02 -0.227630D+01
      3   0.243786D+01  0.480525D+01  0.442580D+01 -0.341208D+01  0.503957D+01
      4   0.341793D+01  0.824711D+00  0.111428D+02 -0.480088D+02 -0.133288D+02
      5   0.230729D+01 -0.126509D+01  0.125934D+02 -0.122942D+02 -0.154645D+02
      6  -0.120679D+00  0.437813D-01 -0.430307D+01  0.264226D+02  0.109350D+02
               151           152           153           154           155 
      1  -0.792483D+00 -0.220260D+01 -0.680924D+01  0.197092D+03 -0.311838D+02
      2  -0.243634D+00 -0.307342D+00  0.939739D+00 -0.925217D+02  0.976940D+01
      3   0.103612D+01  0.250994D+01  0.586950D+01 -0.104571D+03  0.214144D+02
      4   0.163112D+01 -0.561322D+01 -0.535366D+01 -0.437053D+02  0.393059D+02
      5   0.774119D+00 -0.533701D+01 -0.385067D+01  0.358883D+02 -0.716290D+01
      6  -0.131548D+01  0.765298D+01  0.351112D+01 -0.538926D+01  0.466283D+01
               156           157           158           159           160 
      1   0.842620D+01 -0.424288D+02  0.354339D+02 -0.137921D+01  0.626754D+01
      2  -0.903454D+01  0.140156D+02 -0.977319D+01  0.200857D+01 -0.732144D+01
      3   0.608341D+00  0.284132D+02 -0.256607D+02 -0.629365D+00  0.105390D+01
      4  -0.352284D+01  0.549826D+02 -0.386858D+02  0.316830D+01 -0.297689D+01
      5   0.361695D+02 -0.105621D+02  0.807643D+01 -0.121049D+02  0.336552D+02
      6  -0.187231D+01  0.951682D+01 -0.666804D+01  0.543119D+01 -0.438218D+01
               161           162           163           164           165 
      1  -0.900177D+00  0.184976D+02  0.598432D+02 -0.104515D+02  0.163018D+02
      2   0.123910D+01 -0.125754D+02 -0.423782D+02  0.426241D+01 -0.116258D+02
      3  -0.338922D+00 -0.592225D+01 -0.174650D+02  0.618906D+01 -0.467604D+01
      4   0.810345D-01 -0.749778D+01 -0.111148D+02  0.879759D+01  0.144464D+01
      5  -0.855182D+01  0.416901D+01  0.395122D+02 -0.860025D+00  0.202804D+02
      6   0.466074D+01 -0.178813D+01 -0.366766D+01  0.198500D+01  0.103496D+01
               166           167           168           169           170 
      1  -0.205135D+02 -0.513405D+01  0.113111D+00 -0.948966D+01  0.121751D+01
      2   0.115102D+02  0.581930D+00  0.124055D+01  0.128512D+01 -0.145582D+01
      3   0.900332D+01  0.455212D+01 -0.135366D+01  0.820453D+01  0.238310D+00
      4   0.741097D+01  0.975686D+00  0.115620D+02  0.564931D+01  0.489263D+01
      5  -0.944533D+01  0.117418D+02 -0.331846D+01  0.144187D+02  0.438639D+01
      6   0.190198D+01  0.450136D+00  0.114416D+02  0.340717D+01  0.105762D+02
               171           172           173           174           175 
      1  -0.353363D+02 -0.527812D+02  0.816220D+01  0.703336D+01  0.159390D+02
      2  -0.136798D+02  0.338961D+02 -0.379879D+01  0.633516D+01 -0.108964D+02
      3   0.490161D+02  0.188851D+02 -0.436340D+01 -0.133685D+02 -0.504259D+01
      4   0.691979D+01  0.766804D+01 -0.511168D+01 -0.147272D+01 -0.954956D+00
      5   0.467769D+02 -0.292265D+02  0.106490D+01 -0.177890D+02  0.813344D+01
      6   0.428582D+01  0.287424D+01 -0.410728D+01 -0.219922D+01 -0.728309D+00
               176           177           178           179           180 
      1  -0.743315D+01 -0.213575D+01 -0.109182D+02  0.164331D+00 -0.115963D+02
      2   0.417831D+01 -0.147765D+01  0.141062D+02 -0.641801D+00  0.579581D+01
      3   0.325484D+01  0.361339D+01 -0.318800D+01  0.477470D+00  0.580049D+01
      4   0.285987D+01  0.392671D+01  0.258692D+01 -0.224603D+00  0.146386D+01
      5   0.241004D+01  0.597694D+01 -0.140111D+02  0.102406D+01 -0.315575D+01
      6   0.291120D+01  0.436630D+01 -0.116630D+01  0.143143D+01  0.108933D+01
               181           182           183           184           185 
      1   0.319568D+02  0.523364D+02  0.784707D+00 -0.415335D+02  0.126646D+02
      2  -0.160392D+02 -0.430674D+02 -0.914245D-01  0.334111D+02 -0.193974D+02
      3  -0.159177D+02 -0.926896D+01 -0.693282D+00  0.812241D+01  0.673276D+01
      4  -0.889211D+00  0.421258D+02 -0.332010D+01 -0.504510D+01  0.343459D+02
      5   0.615687D+01 -0.647480D+01  0.173100D+02 -0.476787D+00  0.200764D+01
      6  -0.469804D+01  0.241232D+01 -0.137894D+02  0.148601D+01 -0.176234D+01
               186           187           188           189           190 
      1   0.163208D+01  0.144702D+01 -0.708169D+01  0.488619D+01  0.107277D+03
      2  -0.207213D+01  0.120837D+01  0.375347D+01 -0.841573D+01 -0.534465D+02
      3   0.440049D+00 -0.265539D+01  0.332822D+01  0.352953D+01 -0.538300D+02
      4   0.197537D+01 -0.542021D+01 -0.442306D+00 -0.258644D+02  0.863015D+01
      5  -0.961884D+01  0.384296D+02 -0.214619D+02 -0.422068D+01  0.527308D+01
      6   0.295227D+01 -0.252463D+02  0.152047D+02  0.427020D+01 -0.157822D+01
               191           192           193           194           195 
      1  -0.500872D+00 -0.485230D+01 -0.411264D+02 -0.372197D+02  0.142659D+01
      2  -0.125246D+02  0.406017D+00  0.735301D+01  0.427355D+02  0.117480D+01
      3   0.130255D+02  0.444629D+01  0.337734D+02 -0.551583D+01 -0.260139D+01
      4   0.248591D+02 -0.163713D+00 -0.440463D+02 -0.615198D+02  0.164464D+01
      5   0.717908D+00  0.883450D+01 -0.110834D+01 -0.876650D-01 -0.166698D+01
      6   0.111893D+01 -0.262687D+01  0.274701D+01  0.868868D+00 -0.894942D+01
               196           197           198           199           200 
      1  -0.101377D+01 -0.195894D+01  0.243426D+02 -0.108980D+03 -0.209742D+02
      2   0.769820D+00  0.238467D+01 -0.218489D+02  0.374238D+02  0.221292D+02
      3   0.243950D+00 -0.425721D+00 -0.249369D+01  0.715563D+02 -0.115493D+01
      4  -0.315749D+01 -0.296692D+01  0.474848D+00 -0.342700D+02 -0.311795D+02
      5   0.534776D+02 -0.448025D+01 -0.435478D+01  0.202831D+01  0.309169D+01
      6  -0.863094D+00  0.484835D+01 -0.543758D+00  0.424362D+01  0.701687D+00
               201           202           203           204           205 
      1   0.652293D+01  0.806559D+02  0.167782D+02 -0.363324D+01  0.992624D+01
      2  -0.249540D+01 -0.482542D+02 -0.252020D+02  0.178108D+01 -0.464159D+01
      3  -0.402753D+01 -0.324017D+02  0.842382D+01  0.185215D+01 -0.528464D+01
      4   0.343967D+01  0.309076D+02  0.224786D+02 -0.191348D+01  0.544470D+01
      5   0.533025D+01 -0.760864D+00 -0.520511D+00  0.147087D+02  0.266858D+01
      6   0.249025D+00 -0.204029D+01 -0.766399D+00  0.952685D+01  0.274373D+01
               206           207           208           209           210 
      1   0.503445D+01 -0.159161D+02  0.435462D+02 -0.710261D+01 -0.102086D+01
      2  -0.390212D+01 -0.256465D+01 -0.271170D+02  0.701232D+01  0.277817D+01
      3  -0.113233D+01  0.184808D+02 -0.164293D+02  0.902973D-01 -0.175731D+01
      4   0.308074D+01  0.177155D+02 -0.155378D+02  0.566796D+01  0.586011D+00
      5   0.219915D+02  0.346461D+01 -0.590172D+01  0.728335D-01  0.179101D+02
      6   0.995443D+01 -0.235437D+00  0.984734D+00 -0.140913D+01  0.336267D+01
               211           212           213           214           215 
      1  -0.118726D+02  0.697153D+01  0.349420D+01 -0.165555D+01 -0.444654D-01
      2   0.811438D+01 -0.394048D+01 -0.159794D+01  0.227783D+01 -0.694002D+00
      3   0.375817D+01 -0.303105D+01 -0.189627D+01 -0.622282D+00  0.738467D+00
      4   0.347816D+02 -0.144852D+02 -0.190821D+01  0.124536D+01 -0.200591D+00
      5   0.275767D+01 -0.352568D+00  0.176381D+02  0.114274D+02 -0.478463D+01
      6  -0.525932D+00  0.829970D-01  0.140411D+02 -0.157603D+01  0.395988D+01
               216           217           218           219           220 
      1   0.511825D+01 -0.907387D+02 -0.505575D+00  0.129044D+02  0.123869D+02
      2  -0.244170D+01  0.517148D+02  0.379197D+01 -0.713809D+01 -0.285751D+01
      3  -0.267655D+01  0.390238D+02 -0.328639D+01 -0.576628D+01 -0.952940D+01
      4  -0.610096D+01  0.690964D+01  0.275462D+02 -0.328046D+01 -0.752009D+01
      5  -0.292890D+01  0.116164D+02 -0.349673D+01  0.198192D+02 -0.650046D+01
      6   0.616011D+00  0.259664D+00 -0.276990D+01  0.845627D+01 -0.192493D+01
               221           222           223           224           225 
      1   0.158756D+02 -0.108114D+02  0.894725D+01 -0.678214D+01  0.230891D+02
      2  -0.754548D+01  0.338410D+01 -0.530680D+01  0.229670D+01 -0.186472D+02
      3  -0.833010D+01  0.742726D+01 -0.364045D+01  0.448544D+01 -0.444189D+01
      4   0.224597D+01  0.391674D+00 -0.536399D+01 -0.232940D+01 -0.431070D+02
      5   0.626754D-01 -0.685460D+02 -0.110291D+02 -0.458153D+02 -0.767496D+01
      6   0.141774D+01 -0.283094D+02 -0.112475D+02 -0.214618D+02  0.309050D+00
               226           227           228           229           230 
      1  -0.612569D+01 -0.157153D+02  0.516112D+00 -0.461743D+01 -0.580985D+02
      2   0.783436D+01  0.173743D+02 -0.311688D+00  0.461681D+01  0.765833D+02
      3  -0.170867D+01 -0.165902D+01 -0.204424D+00  0.620386D-03 -0.184848D+02
      4   0.530682D+00  0.510857D+01  0.245140D+00  0.324382D+01 -0.225162D+02
      5   0.412474D+00  0.688722D+00  0.118595D+01  0.121423D+00  0.213425D+01
      6  -0.281576D+00 -0.916720D+00  0.178447D+01  0.160565D+00 -0.997881D+00
               231           232           233           234           235 
      1  -0.605236D+00  0.795077D+00  0.146258D+00 -0.749020D+00  0.376960D+02
      2   0.713225D+00 -0.548562D+00  0.173829D+00  0.166295D+01 -0.717223D+01
      3  -0.107989D+00 -0.246516D+00 -0.320087D+00 -0.913929D+00 -0.305238D+02
      4   0.172573D-01  0.198520D-01 -0.768929D+00  0.855131D+00 -0.546227D+02
      5  -0.181587D+01  0.241217D+01  0.441206D+00 -0.313393D+00 -0.380024D+01
      6   0.744898D+01 -0.560067D+00  0.312159D+01  0.761484D-01  0.293004D+01
               236           237           238           239           240 
      1  -0.199753D+02 -0.264200D+01 -0.180071D+02  0.928918D+01  0.874788D+00
      2  -0.152469D+01  0.699414D+00 -0.815713D+01  0.165686D+02  0.900534D+00
      3   0.215000D+02  0.194259D+01  0.261643D+02 -0.258577D+02 -0.177532D+01
      4   0.435702D+02  0.460334D+01  0.516203D+02 -0.565737D+02 -0.463002D+01
      5   0.241115D+01  0.668892D+01  0.242600D+01 -0.213221D+01 -0.611693D+01
      6  -0.219192D+01 -0.379642D+01 -0.245966D+01  0.294998D+01  0.538827D+01
               241           242           243           244           245 
      1  -0.374041D+01  0.165420D+01 -0.442696D+00  0.929697D+01  0.103160D+02
      2   0.590495D+00  0.439458D+00  0.136187D+01 -0.242334D+01 -0.340057D+01
      3   0.314991D+01 -0.209365D+01 -0.919170D+00 -0.687363D+01 -0.691541D+01
      4   0.575850D+01 -0.472234D+01 -0.321674D+01  0.159964D+02  0.134779D+02
      5  -0.737357D+00 -0.215667D+01 -0.912100D+00 -0.263244D+00 -0.431653D+00
      6   0.116795D+01  0.231326D+01  0.579532D+00 -0.157876D+00 -0.429271D+00
               246           247           248           249           250 
      1  -0.481274D+00  0.985526D+01 -0.688647D+01 -0.567489D+00 -0.471005D+00
      2   0.260745D+00  0.196808D+01  0.199272D+02  0.299259D-01  0.313725D+00
      3   0.220529D+00 -0.118233D+02 -0.130408D+02  0.537563D+00  0.157279D+00
      4  -0.912008D+00  0.249165D+02  0.406524D+02 -0.584877D+00 -0.677090D+00
      5   0.106422D+01  0.124590D+00  0.149380D+01  0.324170D+01  0.299522D+00
      6   0.227886D+00 -0.123089D-01  0.147049D+00  0.414867D+01  0.152298D+01
               251           252           253           254           255 
      1  -0.118508D+01 -0.148524D+01  0.416222D+01  0.356023D+01  0.847127D+01
      2   0.696185D+00  0.220949D+01 -0.214978D+01 -0.302800D+01 -0.400280D+01
      3   0.488897D+00 -0.724254D+00 -0.201244D+01 -0.532230D+00 -0.446847D+01
      4  -0.341122D-01 -0.150384D+00 -0.172199D+01 -0.357296D+01  0.165412D+01
      5  -0.107652D+01 -0.604995D-01  0.630248D+01  0.181458D+00 -0.733612D+01
      6   0.129186D+01  0.881355D-01  0.202103D+01 -0.643948D+00 -0.431110D+01
               256           257           258           259           260 
      1   0.665812D+01 -0.283475D+00  0.896371D-01  0.281034D+02  0.641409D+01
      2   0.164314D+00  0.820123D+01  0.520192D+01 -0.131335D+02  0.120162D+01
      3  -0.682243D+01 -0.791776D+01 -0.529156D+01 -0.149699D+02 -0.761571D+01
      4   0.224188D+02  0.291895D+02  0.208194D+02  0.286784D+02  0.281792D+02
      5   0.138053D+02  0.217237D+02  0.274084D+02  0.280612D+02  0.307932D+02
      6   0.628071D+01  0.106823D+02  0.132697D+02  0.118768D+02  0.149821D+02
               261           262           263           264           265 
      1  -0.413466D+01  0.208984D+03  0.147442D+02 -0.132502D+02 -0.118689D+02
      2   0.347498D+00 -0.108177D+03 -0.479727D+01  0.774948D+01  0.959643D+01
      3   0.378716D+01 -0.100806D+03 -0.994688D+01  0.550074D+01  0.227246D+01
      4   0.289641D+02  0.386208D+02  0.181119D+02 -0.240187D+01  0.176185D+02
      5   0.529310D+02 -0.158182D+02 -0.106406D+01  0.177847D+02  0.744843D+00
      6   0.190401D+02 -0.232144D+01 -0.795064D+00  0.288811D+01 -0.766994D+00
               266           267           268           269           270 
      1   0.151473D+02  0.113950D+01 -0.137495D+02 -0.462949D+00  0.147992D+02
      2  -0.726766D+01 -0.884765D+00  0.831462D+01  0.137863D+00 -0.836820D+01
      3  -0.787963D+01 -0.254737D+00  0.543491D+01  0.325085D+00 -0.643096D+01
      4  -0.191249D+00 -0.148111D+01 -0.259139D+01 -0.154672D+01  0.617547D+01
      5  -0.165304D+01  0.900701D+00  0.232759D+02  0.525337D+01 -0.418545D+01
      6  -0.160081D+00  0.188139D+01  0.323848D+01  0.301481D+01 -0.711690D+00
               271           272           273           274           275 
      1  -0.356339D+01  0.410171D+01 -0.123908D+02  0.482567D+01 -0.658659D+01
      2   0.120925D+01 -0.405431D+01  0.536545D+01 -0.259738D+00  0.109718D+02
      3   0.235414D+01 -0.474016D-01  0.702538D+01 -0.456594D+01 -0.438526D+01
      4  -0.592600D+01 -0.795966D+01  0.311265D+01  0.191431D+02  0.301167D+02
      5  -0.447446D+01  0.426583D+01 -0.126131D+02 -0.104490D+02 -0.221216D+02
      6  -0.961148D+00  0.386574D+01 -0.719424D+01 -0.600031D+01 -0.138873D+02
               276           277           278           279 
      1   0.709539D+01 -0.220992D+02  0.186631D+01 -0.122503D+02
      2  -0.751983D+01  0.110413D+02 -0.346651D+01  0.188432D+01
      3   0.424433D+00  0.110579D+02  0.160020D+01  0.103660D+02
      4  -0.225986D+02 -0.211113D+02 -0.256622D+02  0.291947D+02
      5   0.285637D+02  0.224280D+02  0.300600D+02 -0.466318D+02
      6   0.158576D+02  0.107494D+02  0.169424D+02 -0.208962D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.214599D+01      0.545456D+01      0.181945D+02
   x         -0.205154D+01     -0.521450D+01     -0.173937D+02
   y          0.144099D+00      0.366262D+00      0.122172D+01
   z         -0.612924D+00     -0.155790D+01     -0.519659D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182708D+03      0.270745D+02      0.301245D+02
   aniso      0.148097D+03      0.219458D+02      0.244180D+02
   xx         0.276001D+03      0.408992D+02      0.455064D+02
   yx        -0.698195D+01     -0.103462D+01     -0.115117D+01
   yy         0.160135D+03      0.237295D+02      0.264027D+02
   zx        -0.123091D+02     -0.182402D+01     -0.202950D+01
   zy         0.186296D+01      0.276062D+00      0.307160D+00
   zz         0.111988D+03      0.165950D+02      0.184644D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.205440D+03      0.304430D+02      0.338724D+02
   aniso      0.174383D+03      0.258409D+02      0.287519D+02
   xx         0.315809D+03      0.467980D+02      0.520698D+02
   yx        -0.953025D+01     -0.141224D+01     -0.157133D+01
   yy         0.177030D+03      0.262332D+02      0.291884D+02
   zx        -0.137085D+02     -0.203139D+01     -0.226023D+01
   zy         0.220183D+01      0.326277D+00      0.363032D+00
   zz         0.123480D+03      0.182979D+02      0.203591D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.03032674         -1.53614494          1.45802895
     6         -0.40686792          1.05294070          2.08052490
     6          0.95071921         -2.16942227         -0.94391014
     6          1.56147538         -0.34883026         -2.69474968
     6          1.17261553          2.22295217         -2.05924791
     6          0.22112581          2.89897364          0.24835520
     6         -0.65580265         -3.38986757          3.28590797
     1          1.23874679         -4.14909030         -1.39057990
     1          1.62299653          3.67164593         -3.43253394
     1         -0.06928446          4.87477777          0.69757010
     6          2.60160473         -1.04665650         -5.26557781
     6          5.24877169          0.00121637         -5.75082758
     6          0.78413516         -0.31236429         -7.40329264
     1          2.69186496         -3.11401840         -5.35506871
     1          5.92502113         -0.58313216         -7.60297792
     1          6.54856874         -0.68060275         -4.30563665
     1          5.24985530          2.06014458         -5.70638795
     8          1.43746567          0.48096423         -9.41985170
     8         -1.69427245         -0.70880413         -6.91155730
     1         -1.90436302         -1.18749399         -5.15579427
     6         -1.60012769         -2.72130192          5.59007984
     6         -1.97609214         -0.14231789          6.20340013
     6         -1.38977477          1.71170793          4.47952416
     8         -2.92573118          0.27526873          8.54876791
     6         -3.36036901          2.80971306          9.30335281
     1         -0.37339857         -5.36526026          2.83054391
     1         -2.08274661         -4.12406193          6.99611429
     1         -1.66152977          3.68837255          4.90971004
     1         -1.60454181          3.90001390          9.30839808
     1         -4.11262685          2.71296143         11.21217472
     1         -4.73479231          3.73273743          8.06617871

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.214599D+01      0.545456D+01      0.181945D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.214599D+01      0.545456D+01      0.181945D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182708D+03      0.270745D+02      0.301245D+02
   aniso      0.148097D+03      0.219458D+02      0.244180D+02
   xx         0.132243D+03      0.195964D+02      0.218040D+02
   yx        -0.131450D+01     -0.194788D+00     -0.216731D+00
   yy         0.159679D+03      0.236619D+02      0.263274D+02
   zx        -0.553526D+02     -0.820242D+01     -0.912642D+01
   zy        -0.246433D+01     -0.365176D+00     -0.406313D+00
   zz         0.256202D+03      0.379653D+02      0.422421D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.205440D+03      0.304430D+02      0.338724D+02
   aniso      0.174383D+03      0.258409D+02      0.287519D+02
   xx         0.146783D+03      0.217510D+02      0.242013D+02
   yx        -0.969546D+00     -0.143672D+00     -0.159857D+00
   yy         0.176389D+03      0.261382D+02      0.290827D+02
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 Life may have no meaning.  Or even worse, it may have a
 meaning of which I disapprove.
                                 -- Ashleigh Brilliant
 Job cpu time:       0 days 13 hours 29 minutes  3.8 seconds.
 Elapsed time:       0 days  1 hours 41 minutes 23.8 seconds.
 File lengths (MBytes):  RWF=    749 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:38:32 2021.
